#------------------------------------------------------------------------------
#$Date: 2018-08-02 17:39:54 +0300 (Thu, 02 Aug 2018) $
#$Revision: 209363 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/56/7105686.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7105686
loop_
_publ_author_name
'Chang-Zhu Li'
'Yutaka Matsuo'
'Takaaki Niinomi'
'Yoshiharu Sato'
'Eiichi Nakamura'
_publ_section_title
;
 Face-to-face C6F5-[60]Fullerene Interaction for Ordering Fullerene
 Molecules and Application to Thin-film Organic Photovoltaics
;
_journal_name_full               Chem.Commun.
_journal_page_first              8582
_journal_paper_doi               10.1039/c0cc03028g
_journal_volume                  46
_journal_year                    2010
_chemical_absolute_configuration unk
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C74 H4 F10'
_chemical_formula_sum            'C37 H2 F5'
_chemical_formula_weight         541.39
_space_group_crystal_system      tetragonal
_space_group_IT_number           96
_space_group_name_Hall           'P 4nw 2abw'
_space_group_name_H-M_alt        'P 43 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-11-02T21:09:33-00:00
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   13.897(5)
_cell_length_b                   13.897(5)
_cell_length_c                   20.108(5)
_cell_measurement_reflns_used    73180
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      1.78
_cell_measurement_wavelength     0.71073
_cell_volume                     3883(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            73180
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.141
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2152
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -2.4(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         3561
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0736P)²+3.2879P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1304
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                3505
_reflns_number_total             3561
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03028G.TXT
_cod_data_source_block           C60CH2C6F5
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-08-02
;
_cod_original_sg_symbol_Hall     'P 4abw 2nw'
_cod_original_sg_symbol_H-M      'P 41 21 2'
_cod_database_code               7105686
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 'x+1/2, -y+1/2, -z+1/4'
4 '-x+1/2, y+1/2, -z+3/4'
5 '-y, -x, -z+1/2'
6 'y, x, -z'
7 'y+1/2, -x+1/2, z+1/4'
8 '-y+1/2, x+1/2, z+3/4'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.39479(18) 0.62549(18) 0.32551(12) 0.0243(5) Uani 1 1 d . . .
C2 C 0.34255(17) 0.54329(17) 0.29154(12) 0.0216(5) Uani 1 1 d . . .
C3 C 0.46582(18) 0.66885(17) 0.27549(12) 0.0228(5) Uani 1 1 d . . .
C4 C 0.33911(19) 0.4534(2) 0.32779(15) 0.0325(6) Uani 1 1 d . . .
C5 C 0.4116(4) 0.4740(4) 0.3879(2) 0.0218(10) Uiso 0.5 1 d P . .
C5B C 0.5638(4) 0.6226(4) 0.3665(3) 0.0265(11) Uiso 0.5 1 d P . .
C6 C 0.4594(2) 0.5768(2) 0.37820(14) 0.0377(7) Uani 1 1 d . . .
C7 C 0.5449(4) 0.5853(4) 0.3934(3) 0.0260(11) Uiso 0.5 1 d P . .
C7B C 0.4589(4) 0.4935(4) 0.4032(3) 0.0240(11) Uiso 0.5 1 d P . .
C8 C 0.6043(4) 0.6445(4) 0.3490(2) 0.0231(10) Uiso 0.5 1 d P . .
C8B C 0.3886(4) 0.4235(4) 0.3752(3) 0.0251(10) Uiso 0.5 1 d P . .
C9 C 0.5637(2) 0.67993(19) 0.29806(14) 0.0319(6) Uani 1 1 d . . .
C9B C 0.3157(4) 0.3792(4) 0.2690(3) 0.0234(10) Uiso 0.5 1 d P . .
C10 C 0.6433(4) 0.6760(4) 0.2636(3) 0.0266(11) Uiso 0.5 1 d P . .
C11 C 0.3330(4) 0.3667(4) 0.3067(3) 0.0237(10) Uiso 0.5 1 d P . .
C12 C 0.3944(5) 0.2872(5) 0.3335(3) 0.0262(14) Uiso 0.5 1 d P . .
C13 C 0.4583(5) 0.3062(5) 0.3837(3) 0.0264(13) Uiso 0.5 1 d P . .
C13B C 0.7295(5) 0.5729(5) 0.3428(3) 0.0315(13) Uiso 0.5 1 d P . .
C14 C 0.4668(4) 0.3994(4) 0.4126(3) 0.0268(11) Uiso 0.5 1 d P . .
C14B C 0.6440(4) 0.5721(4) 0.3859(3) 0.0300(11) Uiso 0.5 1 d P . .
C15 C 0.5424(5) 0.4380(5) 0.4235(3) 0.0309(16) Uiso 0.5 1 d P . .
C15B C 0.6342(5) 0.4796(5) 0.4145(3) 0.0291(13) Uiso 0.5 1 d P . .
C16 C 0.6040(5) 0.5067(5) 0.4172(3) 0.0298(13) Uiso 0.5 1 d P . .
C16B C 0.5673(5) 0.4175(5) 0.4269(3) 0.0290(15) Uiso 0.5 1 d P . .
C18 C 0.6999(4) 0.5174(4) 0.3887(3) 0.0300(11) Uiso 0.5 1 d P . .
C18B C 0.5259(4) 0.3375(4) 0.4082(3) 0.0285(11) Uiso 0.5 1 d P . .
C19 C 0.6996(5) 0.6013(5) 0.3468(3) 0.0280(12) Uiso 0.5 1 d P . .
C19B C 0.4292(5) 0.3277(5) 0.3785(3) 0.0305(14) Uiso 0.5 1 d P . .
C20 C 0.7292(5) 0.6236(5) 0.2825(3) 0.0301(16) Uiso 0.5 1 d P . .
C20C C 0.7519(5) 0.6012(5) 0.2886(3) 0.0260(14) Uiso 0.5 1 d P . .
C20D C 0.4149(5) 0.2609(5) 0.3260(3) 0.0306(15) Uiso 0.5 1 d P . .
C21 C 0.7103(4) 0.6437(4) 0.2283(3) 0.0279(11) Uiso 0.5 1 d P . .
C22 C 0.4197(4) 0.2291(4) 0.2756(3) 0.0311(12) Uiso 0.5 1 d P . .
C23 C 0.5102(4) 0.1884(4) 0.2720(3) 0.0276(11) Uiso 0.5 1 d P . .
C24 C 0.5819(2) 0.20849(19) 0.32902(14) 0.0305(6) Uani 1 1 d . . .
C25 C 0.5540(4) 0.2623(4) 0.3810(3) 0.0243(10) Uiso 0.5 1 d P . .
C25B C 0.7720(4) 0.4770(5) 0.3468(3) 0.0301(12) Uiso 0.5 1 d P . .
C26 C 0.6205(4) 0.3304(4) 0.4079(3) 0.0251(11) Uiso 0.5 1 d P . .
C26B C 0.7128(5) 0.4192(4) 0.3902(3) 0.0306(11) Uiso 0.5 1 d P . .
C27 C 0.7044(2) 0.3324(2) 0.37764(14) 0.0400(7) Uani 1 1 d . . .
C28 C 0.7524(4) 0.4377(4) 0.3701(3) 0.0215(10) Uiso 0.5 1 d P . .
C28B C 0.6015(5) 0.2820(4) 0.3858(3) 0.0279(11) Uiso 0.5 1 d P . .
C29 C 0.8089(2) 0.4354(2) 0.29939(19) 0.0436(8) Uani 1 1 d . . .
C30 C 0.8060(4) 0.5158(4) 0.2678(3) 0.0280(11) Uiso 0.5 1 d P . .
C30B C 0.4941(4) 0.2031(4) 0.3037(3) 0.0256(11) Uiso 0.5 1 d P . .
C31 C 0.6716(2) 0.21364(19) 0.29316(14) 0.0311(6) Uani 1 1 d . . .
C32 C 0.73864(19) 0.28110(19) 0.31987(15) 0.0291(6) Uani 1 1 d . . .
C33 C 0.79611(18) 0.3378(2) 0.27666(14) 0.0298(6) Uani 1 1 d . . .
C101 C 0.31990(19) 0.69833(18) 0.35410(13) 0.0266(5) Uani 1 1 d . . .
H10A H 0.2681 0.7053 0.3221 0.032 Uiso 1 1 calc R . .
H10B H 0.2925 0.6711 0.3943 0.032 Uiso 1 1 calc R . .
C102 C 0.35822(18) 0.79629(19) 0.37013(13) 0.0265(5) Uani 1 1 d . . .
C103 C 0.3425(2) 0.87387(19) 0.32824(14) 0.0297(6) Uani 1 1 d . . .
C104 C 0.3679(2) 0.9667(2) 0.34434(16) 0.0374(7) Uani 1 1 d . . .
C105 C 0.4127(2) 0.9843(2) 0.40478(17) 0.0409(7) Uani 1 1 d . . .
C106 C 0.4313(2) 0.9094(2) 0.44745(15) 0.0383(7) Uani 1 1 d . . .
C107 C 0.4043(2) 0.8175(2) 0.42995(14) 0.0332(6) Uani 1 1 d . . .
F1 F 0.29443(14) 0.85996(12) 0.27101(8) 0.0397(4) Uani 1 1 d . . .
F2 F 0.34516(17) 1.03907(13) 0.30410(10) 0.0549(6) Uani 1 1 d . . .
F3 F 0.47200(14) 0.92624(15) 0.50677(10) 0.0530(5) Uani 1 1 d . . .
F4 F 0.43564(18) 1.07410(14) 0.42209(11) 0.0609(6) Uani 1 1 d . . .
F5 F 0.42034(15) 0.74600(13) 0.47322(8) 0.0455(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C3 108.0(2) . . ?
C2 C1 C6 104.9(2) . . ?
C3 C1 C6 104.4(2) . . ?
C2 C1 C101 109.6(2) . . ?
C3 C1 C101 114.6(2) . . ?
C6 C1 C101 114.8(2) . . ?
C3 C2 C4 114.5(2) 5_665 . ?
C3 C2 C1 124.8(2) 5_665 . ?
C4 C2 C1 116.1(2) . . ?
C2 C3 C9 114.3(2) 5_665 . ?
C2 C3 C1 122.9(2) 5_665 . ?
C9 C3 C1 116.3(2) . . ?
C8B C4 C11 88.6(4) . . ?
C8B C4 C2 130.9(4) . . ?
C11 C4 C2 130.4(3) . . ?
C8B C4 C5 30.1(3) . . ?
C11 C4 C5 117.4(4) . . ?
C2 C4 C5 101.8(3) . . ?
C8B C4 C9B 117.5(4) . . ?
C11 C4 C9B 30.3(3) . . ?
C2 C4 C9B 101.0(3) . . ?
C5 C4 C9B 143.3(3) . . ?
C7B C5 C8B 139.6(9) . . ?
C7B C5 C14 69.5(6) . . ?
C8B C5 C14 71.6(6) . . ?
C7B C5 C6 51.6(5) . . ?
C8B C5 C6 154.5(6) . . ?
C14 C5 C6 119.2(5) . . ?
C7B C5 C4 153.7(7) . . ?
C8B C5 C4 50.1(5) . . ?
C14 C5 C4 119.0(5) . . ?
C6 C5 C4 109.4(3) . . ?
C7B C5 C15 35.0(5) . . ?
C8B C5 C15 104.7(6) . . ?
C14 C5 C15 35.6(3) . . ?
C6 C5 C15 83.7(3) . . ?
C4 C5 C15 142.3(4) . . ?
C8 C5B C7 148.9(10) . . ?
C8 C5B C14B 74.0(7) . . ?
C7 C5B C14B 75.1(6) . . ?
C8 C5B C9 51.2(6) . . ?
C7 C5B C9 156.4(7) . . ?
C14B C5B C9 120.1(5) . . ?
C8 C5B C6 159.1(7) . . ?
C7 C5B C6 48.7(5) . . ?
C14B C5B C6 119.4(5) . . ?
C9 C5B C6 109.0(3) . . ?
C8 C5B C19 38.7(6) . . ?
C7 C5B C19 111.1(6) . . ?
C14B C5B C19 36.4(3) . . ?
C9 C5B C19 84.3(4) . . ?
C6 C5B C19 147.7(4) . . ?
C8 C5B C16 111.6(7) . . ?
C7 C5B C16 38.2(5) . . ?
C14B C5B C16 38.0(3) . . ?
C9 C5B C16 148.2(4) . . ?
C6 C5B C16 81.8(4) . . ?
C19 C5B C16 73.1(3) . . ?
C7 C6 C7B 89.7(4) . . ?
C7 C6 C1 133.5(4) . . ?
C7B C6 C1 132.2(4) . . ?
C7 C6 C5 117.3(4) . . ?
C7B C6 C5 28.7(3) . . ?
C1 C6 C5 103.6(3) . . ?
C7 C6 C5B 28.9(3) . . ?
C7B C6 C5B 115.3(4) . . ?
C1 C6 C5B 104.6(3) . . ?
C5 C6 C5B 139.0(3) . . ?
C5B C7 C6 102.3(7) . . ?
C5B C7 C14B 71.7(6) . . ?
C6 C7 C14B 155.5(5) . . ?
C5B C7 C16 122.0(7) . . ?
C6 C7 C16 123.8(5) . . ?
C14B C7 C16 51.5(4) . . ?
C5B C7 C8 14.9(5) . . ?
C6 C7 C8 116.4(5) . . ?
C14B C7 C8 56.9(4) . . ?
C16 C7 C8 107.7(5) . . ?
C5B C7 C7B 140.8(7) . . ?
C6 C7 C7B 45.8(3) . . ?
C14B C7 C7B 125.9(5) . . ?
C16 C7 C7B 78.5(4) . . ?
C8 C7 C7B 148.9(4) . . ?
C5B C7 C15B 115.1(7) . . ?
C6 C7 C15B 126.1(5) . . ?
C14B C7 C15B 45.9(3) . . ?
C16 C7 C15B 7.5(3) . . ?
C8 C7 C15B 101.2(4) . . ?
C7B C7 C15B 82.1(3) . . ?
C5 C7B C6 99.7(7) . . ?
C5 C7B C14 77.3(6) . . ?
C6 C7B C14 164.0(5) . . ?
C5 C7B C15 127.1(7) . . ?
C6 C7B C15 126.5(5) . . ?
C14 C7B C15 51.0(4) . . ?
C5 C7B C8B 20.7(5) . . ?
C6 C7B C8B 116.9(5) . . ?
C14 C7B C8B 57.6(4) . . ?
C15 C7B C8B 106.5(5) . . ?
C5 C7B C7 141.8(7) . . ?
C6 C7B C7 44.5(3) . . ?
C14 C7B C7 132.5(5) . . ?
C15 C7B C7 82.8(4) . . ?
C8B C7B C7 151.3(4) . . ?
C5 C7B C16B 125.3(7) . . ?
C6 C7B C16B 127.3(4) . . ?
C14 C7B C16B 49.5(3) . . ?
C15 C7B C16B 2.3(4) . . ?
C8B C7B C16B 104.6(4) . . ?
C7 C7B C16B 83.9(4) . . ?
C5B C8 C9 102.1(7) . . ?
C5B C8 C14B 75.0(6) . . ?
C9 C8 C14B 154.6(5) . . ?
C5B C8 C19 122.9(7) . . ?
C9 C8 C19 122.7(5) . . ?
C14B C8 C19 49.1(4) . . ?
C5B C8 C7 16.2(5) . . ?
C9 C8 C7 117.3(5) . . ?
C14B C8 C7 59.0(4) . . ?
C19 C8 C7 107.4(4) . . ?
C5B C8 C10 140.4(7) . . ?
C9 C8 C10 44.8(3) . . ?
C14B C8 C10 124.0(4) . . ?
C19 C8 C10 78.6(4) . . ?
C7 C8 C10 149.4(4) . . ?
C5B C8 C13B 119.4(7) . . ?
C9 C8 C13B 121.8(4) . . ?
C14B C8 C13B 47.1(3) . . ?
C19 C8 C13B 5.7(3) . . ?
C7 C8 C13B 104.3(4) . . ?
C10 C8 C13B 78.8(3) . . ?
C5 C8B C4 99.9(6) . . ?
C5 C8B C14 74.0(6) . . ?
C4 C8B C14 160.7(5) . . ?
C5 C8B C19B 128.7(7) . . ?
C4 C8B C19B 123.8(5) . . ?
C14 C8B C19B 55.8(4) . . ?
C5 C8B C7B 19.7(5) . . ?
C4 C8B C7B 115.7(5) . . ?
C14 C8B C7B 55.2(4) . . ?
C19B C8B C7B 109.1(5) . . ?
C5 C8B C11 143.6(6) . . ?
C4 C8B C11 46.5(3) . . ?
C14 C8B C11 132.0(5) . . ?
C19B C8B C11 78.2(4) . . ?
C7B C8B C11 151.0(4) . . ?
C5 C8B C13 120.6(6) . . ?
C4 C8B C13 129.4(4) . . ?
C14 C8B C13 48.3(3) . . ?
C19B C8B C13 8.1(3) . . ?
C7B C8B C13 101.0(4) . . ?
C11 C8B C13 84.8(3) . . ?
C8 C9 C10 92.0(4) . . ?
C8 C9 C3 129.2(4) . . ?
C10 C9 C3 128.9(3) . . ?
C8 C9 C9B 119.0(4) . 5_665 ?
C10 C9 C9B 27.8(3) . 5_665 ?
C3 C9 C9B 102.2(3) . 5_665 ?
C8 C9 C5B 26.7(3) . . ?
C10 C9 C5B 116.0(4) . . ?
C3 C9 C5B 102.7(3) . . ?
C9B C9 C5B 139.9(3) 5_665 . ?
C10 C9B C11 133.9(9) 5_665 . ?
C10 C9B C21 65.5(6) 5_665 5_665 ?
C11 C9B C21 69.3(6) . 5_665 ?
C10 C9B C9 56.0(6) 5_665 5_665 ?
C11 C9B C9 153.9(7) . 5_665 ?
C21 C9B C9 118.7(5) 5_665 5_665 ?
C10 C9B C4 154.1(8) 5_665 . ?
C11 C9B C4 52.4(5) . . ?
C21 C9B C4 118.1(5) 5_665 . ?
C9 C9B C4 107.5(3) 5_665 . ?
C10 C9B C20 32.6(6) 5_665 5_665 ?
C11 C9B C20 101.2(6) . 5_665 ?
C21 C9B C20 33.6(3) 5_665 5_665 ?
C9 C9B C20 85.4(3) 5_665 5_665 ?
C4 C9B C20 140.8(4) . 5_665 ?
C9B C10 C21 82.3(7) 5_665 . ?
C9B C10 C9 96.1(7) 5_665 . ?
C21 C10 C9 160.7(6) . . ?
C9B C10 C11 24.3(5) 5_665 5_665 ?
C21 C10 C11 58.6(4) . 5_665 ?
C9 C10 C11 116.6(5) . 5_665 ?
C9B C10 C20 131.5(8) 5_665 . ?
C21 C10 C20 50.0(4) . . ?
C9 C10 C20 125.4(5) . . ?
C11 C10 C20 107.2(5) 5_665 . ?
C9B C10 C8 137.6(7) 5_665 . ?
C21 C10 C8 131.1(5) . . ?
C9 C10 C8 43.2(3) . . ?
C11 C10 C8 150.4(5) 5_665 . ?
C20 C10 C8 83.1(4) . . ?
C9B C10 C20C 131.2(7) 5_665 . ?
C21 C10 C20C 50.5(4) . . ?
C9 C10 C20C 123.7(4) . . ?
C11 C10 C20C 106.9(4) 5_665 . ?
C20 C10 C20C 3.0(4) . . ?
C8 C10 C20C 81.8(3) . . ?
C9B C11 C4 97.3(6) . . ?
C9B C11 C21 75.5(6) . 5_665 ?
C4 C11 C21 157.4(5) . 5_665 ?
C9B C11 C10 21.8(5) . 5_665 ?
C4 C11 C10 115.2(5) . 5_665 ?
C21 C11 C10 54.2(4) 5_665 5_665 ?
C9B C11 C12 131.4(7) . . ?
C4 C11 C12 122.5(5) . . ?
C21 C11 C12 56.9(4) 5_665 . ?
C10 C11 C12 109.6(5) 5_665 . ?
C9B C11 C8B 139.5(7) . . ?
C4 C11 C8B 44.9(3) . . ?
C21 C11 C8B 132.2(5) 5_665 . ?
C10 C11 C8B 148.8(5) 5_665 . ?
C12 C11 C8B 78.5(4) . . ?
C9B C11 C20D 122.2(6) . . ?
C4 C11 C20D 128.4(4) . . ?
C21 C11 C20D 48.3(3) 5_665 . ?
C10 C11 C20D 100.4(4) 5_665 . ?
C12 C11 C20D 9.3(3) . . ?
C8B C11 C20D 85.7(3) . . ?
C19B C12 C21 149.4(7) . 5_665 ?
C19B C12 C13 21.5(4) . . ?
C21 C12 C13 158.0(6) 5_665 . ?
C19B C12 C22 141.6(7) . . ?
C21 C12 C22 51.3(4) 5_665 . ?
C13 C12 C22 122.6(6) . . ?
C19B C12 C11 99.2(7) . . ?
C21 C12 C11 55.0(4) 5_665 . ?
C13 C12 C11 119.6(6) . . ?
C22 C12 C11 104.9(5) . . ?
C19B C12 C30B 103.7(6) . . ?
C21 C12 C30B 90.7(5) 5_665 . ?
C13 C12 C30B 83.0(5) . . ?
C22 C12 C30B 40.2(3) . . ?
C11 C12 C30B 138.8(5) . . ?
C19B C13 C18B 120.8(13) . . ?
C19B C13 C12 56.7(11) . . ?
C18B C13 C12 157.0(6) . . ?
C19B C13 C14 67.7(11) . . ?
C18B C13 C14 54.0(4) . . ?
C12 C13 C14 121.9(7) . . ?
C19B C13 C20D 76.2(12) . . ?
C18B C13 C20D 148.1(7) . . ?
C12 C13 C20D 19.6(3) . . ?
C14 C13 C20D 139.0(7) . . ?
C19B C13 C25 161.8(13) . . ?
C18B C13 C25 55.3(5) . . ?
C12 C13 C25 118.8(6) . . ?
C14 C13 C25 108.6(5) . . ?
C20D C13 C25 99.6(5) . . ?
C19B C13 C8B 23.5(10) . . ?
C18B C13 C8B 97.5(5) . . ?
C12 C13 C8B 76.6(5) . . ?
C14 C13 C8B 45.6(4) . . ?
C20D C13 C8B 95.0(5) . . ?
C25 C13 C8B 144.7(4) . . ?
C19B C13 C28B 151.3(12) . . ?
C18B C13 C28B 41.1(4) . . ?
C12 C13 C28B 128.5(5) . . ?
C14 C13 C28B 93.5(4) . . ?
C20D C13 C28B 110.8(5) . . ?
C25 C13 C28B 15.4(3) . . ?
C8B C13 C28B 130.2(4) . . ?
C19 C13B C20C 95.1(11) . . ?
C19 C13B C18 94.7(11) . . ?
C20C C13B C18 160.5(7) . . ?
C19 C13B C20 77.0(10) . . ?
C20C C13B C20 18.3(4) . . ?
C18 C13B C20 158.8(6) . . ?
C19 C13B C25B 154.9(12) . . ?
C20C C13B C25B 104.2(7) . . ?
C18 C13B C25B 62.4(5) . . ?
C20 C13B C25B 120.5(6) . . ?
C19 C13B C14B 49.0(9) . . ?
C20C C13B C14B 138.4(7) . . ?
C18 C13B C14B 46.1(4) . . ?
C20 C13B C14B 120.8(6) . . ?
C25B C13B C14B 106.7(5) . . ?
C19 C13B C28 136.3(11) . . ?
C20C C13B C28 121.4(6) . . ?
C18 C13B C28 43.6(4) . . ?
C20 C13B C28 135.8(6) . . ?
C25B C13B C28 19.1(3) . . ?
C14B C13B C28 87.6(4) . . ?
C19 C13B C30 138.9(11) . . ?
C20C C13B C30 46.4(5) . . ?
C18 C13B C30 118.5(6) . . ?
C20 C13B C30 63.3(4) . . ?
C25B C13B C30 57.8(4) . . ?
C14B C13B C30 150.2(5) . . ?
C28 C13B C30 75.5(3) . . ?
C19 C13B C8 14.4(8) . . ?
C20C C13B C8 96.8(6) . . ?
C18 C13B C8 88.6(5) . . ?
C20 C13B C8 78.6(5) . . ?
C25B C13B C8 143.1(5) . . ?
C14B C13B C8 42.9(3) . . ?
C28 C13B C8 126.3(4) . . ?
C30 C13B C8 134.5(4) . . ?
C18B C14 C15 74.5(5) . . ?
C18B C14 C19B 71.9(5) . . ?
C15 C14 C19B 141.3(7) . . ?
C18B C14 C7B 139.2(6) . . ?
C15 C14 C7B 69.9(5) . . ?
C19B C14 C7B 129.7(6) . . ?
C18B C14 C8B 133.3(6) . . ?
C15 C14 C8B 133.5(6) . . ?
C19B C14 C8B 65.4(5) . . ?
C7B C14 C8B 67.2(4) . . ?
C18B C14 C5 153.7(6) . . ?
C15 C14 C5 102.4(6) . . ?
C19B C14 C5 99.3(5) . . ?
C7B C14 C5 33.1(3) . . ?
C8B C14 C5 34.5(3) . . ?
C18B C14 C13 51.0(4) . . ?
C15 C14 C13 123.6(6) . . ?
C19B C14 C13 21.1(3) . . ?
C7B C14 C13 146.3(5) . . ?
C8B C14 C13 86.2(5) . . ?
C5 C14 C13 119.4(5) . . ?
C18B C14 C16B 58.4(5) . . ?
C15 C14 C16B 16.6(4) . . ?
C19B C14 C16B 128.1(6) . . ?
C7B C14 C16B 86.3(5) . . ?
C8B C14 C16B 146.6(5) . . ?
C5 C14 C16B 118.4(6) . . ?
C13 C14 C16B 108.6(5) . . ?
C18 C14B C19 78.9(6) . . ?
C18 C14B C16 77.4(6) . . ?
C19 C14B C16 152.9(7) . . ?
C18 C14B C8 146.2(6) . . ?
C19 C14B C8 69.4(5) . . ?
C16 C14B C8 129.5(6) . . ?
C18 C14B C5B 162.0(6) . . ?
C19 C14B C5B 99.7(6) . . ?
C16 C14B C5B 98.9(6) . . ?
C8 C14B C5B 31.0(3) . . ?
C18 C14B C7 142.2(7) . . ?
C19 C14B C7 132.5(6) . . ?
C16 C14B C7 66.3(5) . . ?
C8 C14B C7 64.2(4) . . ?
C5B C14B C7 33.2(3) . . ?
C18 C14B C15B 54.0(5) . . ?
C19 C14B C15B 130.5(6) . . ?
C16 C14B C15B 23.5(3) . . ?
C8 C14B C15B 148.3(6) . . ?
C5B C14B C15B 120.1(6) . . ?
C7 C14B C15B 88.9(5) . . ?
C18 C14B C13B 57.3(5) . . ?
C19 C14B C13B 21.8(4) . . ?
C16 C14B C13B 132.0(6) . . ?
C8 C14B C13B 90.0(5) . . ?
C5B C14B C13B 119.0(5) . . ?
C7 C14B C13B 149.2(5) . . ?
C15B C14B C13B 108.9(5) . . ?
C14 C15 C16 153.5(8) . . ?
C14 C15 C15B 161.9(7) . . ?
C16 C15 C15B 23.7(3) . . ?
C14 C15 C18B 52.5(4) . . ?
C16 C15 C18B 143.0(7) . . ?
C15B C15 C18B 120.7(7) . . ?
C14 C15 C7B 59.1(5) . . ?
C16 C15 C7B 96.3(6) . . ?
C15B C15 C7B 118.0(6) . . ?
C18B C15 C7B 109.0(5) . . ?
C14 C15 C26 96.9(5) . . ?
C16 C15 C26 101.0(6) . . ?
C15B C15 C26 77.4(5) . . ?
C18B C15 C26 44.5(3) . . ?
C7B C15 C26 147.1(5) . . ?
C14 C15 C5 42.0(4) . . ?
C16 C15 C5 112.3(6) . . ?
C15B C15 C5 131.9(5) . . ?
C18B C15 C5 91.2(4) . . ?
C7B C15 C5 17.8(3) . . ?
C26 C15 C5 131.4(4) . . ?
C16 C15B C18 108.8(12) . . ?
C16 C15B C16B 83.8(11) . . ?
C18 C15B C16B 160.6(7) . . ?
C16 C15B C15 65.8(10) . . ?
C18 C15B C15 160.5(6) . . ?
C16B C15B C15 18.6(4) . . ?
C16 C15B C14B 60.4(10) . . ?
C18 C15B C14B 48.7(4) . . ?
C16B C15B C14B 138.9(7) . . ?
C15 C15B C14B 120.7(7) . . ?
C16 C15B C26B 165.3(12) . . ?
C18 C15B C26B 61.8(5) . . ?
C16B C15B C26B 102.7(6) . . ?
C15 C15B C26B 118.9(6) . . ?
C14B C15B C26B 108.3(5) . . ?
C16 C15B C28 149.6(11) . . ?
C18 C15B C28 43.9(4) . . ?
C16B C15B C28 119.6(6) . . ?
C15 C15B C28 134.0(5) . . ?
C14B C15B C28 90.2(4) . . ?
C26B C15B C28 18.2(3) . . ?
C16 C15B C7 19.5(9) . . ?
C18 C15B C7 93.5(5) . . ?
C16B C15B C7 94.9(6) . . ?
C15 C15B C7 76.3(5) . . ?
C14B C15B C7 45.2(4) . . ?
C26B C15B C7 145.8(5) . . ?
C28 C15B C7 130.7(4) . . ?
C15B C16 C14B 96.1(11) . . ?
C15B C16 C15 90.6(11) . . ?
C14B C16 C15 153.3(7) . . ?
C15B C16 C16B 71.6(10) . . ?
C14B C16 C16B 156.2(7) . . ?
C15 C16 C16B 19.6(4) . . ?
C15B C16 C7 152.9(12) . . ?
C14B C16 C7 62.2(5) . . ?
C15 C16 C7 102.4(6) . . ?
C16B C16 C7 121.7(6) . . ?
C15B C16 C18 49.6(9) . . ?
C14B C16 C18 46.7(4) . . ?
C15 C16 C18 136.2(7) . . ?
C16B C16 C18 119.6(7) . . ?
C7 C16 C18 108.2(5) . . ?
C15B C16 C5B 134.3(11) . . ?
C14B C16 C5B 43.1(4) . . ?
C15 C16 C5B 117.7(6) . . ?
C16B C16 C5B 135.3(6) . . ?
C7 C16 C5B 19.8(3) . . ?
C18 C16 C5B 88.5(4) . . ?
C15B C16 C26B 10.6(9) . . ?
C14B C16 C26B 88.2(5) . . ?
C15 C16 C26B 94.5(6) . . ?
C16B C16 C26B 76.7(5) . . ?
C7 C16 C26B 142.4(5) . . ?
C18 C16 C26B 43.1(4) . . ?
C5B C16 C26B 124.2(4) . . ?
C15B C16B C18B 145.9(7) . . ?
C15B C16B C16 24.6(3) . . ?
C18B C16B C16 154.5(6) . . ?
C15B C16B C14 140.5(7) . . ?
C18B C16B C14 51.0(4) . . ?
C16 C16B C14 119.6(7) . . ?
C15B C16B C26 97.9(6) . . ?
C18B C16B C26 56.3(4) . . ?
C16 C16B C26 121.8(6) . . ?
C14 C16B C26 106.9(5) . . ?
C15B C16B C7B 98.7(6) . . ?
C18B C16B C7B 93.0(5) . . ?
C16 C16B C7B 75.7(5) . . ?
C14 C16B C7B 44.2(3) . . ?
C26 C16B C7B 142.4(5) . . ?
C14B C18 C15B 77.3(6) . . ?
C14B C18 C13B 76.6(6) . . ?
C15B C18 C13B 147.4(7) . . ?
C14B C18 C26B 141.8(7) . . ?
C15B C18 C26B 69.4(5) . . ?
C13B C18 C26B 125.0(6) . . ?
C14B C18 C28 157.6(6) . . ?
C15B C18 C28 99.9(6) . . ?
C13B C18 C28 96.8(6) . . ?
C26B C18 C28 30.7(3) . . ?
C14B C18 C25B 138.3(6) . . ?
C15B C18 C25B 129.2(6) . . ?
C13B C18 C25B 65.3(5) . . ?
C26B C18 C25B 62.0(4) . . ?
C28 C18 C25B 31.8(3) . . ?
C14B C18 C19 53.2(5) . . ?
C15B C18 C19 128.2(6) . . ?
C13B C18 C19 23.6(3) . . ?
C26B C18 C19 144.7(6) . . ?
C28 C18 C19 119.6(6) . . ?
C25B C18 C19 88.5(5) . . ?
C14B C18 C16 55.9(5) . . ?
C15B C18 C16 21.6(4) . . ?
C13B C18 C16 129.9(6) . . ?
C26B C18 C16 90.6(5) . . ?
C28 C18 C16 120.6(6) . . ?
C25B C18 C16 146.6(6) . . ?
C19 C18 C16 108.0(5) . . ?
C13 C18B C14 75.0(5) . . ?
C13 C18B C25 75.4(6) . . ?
C14 C18B C25 148.8(6) . . ?
C13 C18B C16B 143.8(7) . . ?
C14 C18B C16B 70.7(5) . . ?
C25 C18B C16B 134.8(6) . . ?
C13 C18B C26 141.8(7) . . ?
C14 C18B C26 137.9(6) . . ?
C25 C18B C26 67.8(4) . . ?
C16B C18B C26 68.1(5) . . ?
C13 C18B C28B 105.8(6) . . ?
C14 C18B C28B 162.3(6) . . ?
C25 C18B C28B 31.4(3) . . ?
C16B C18B C28B 103.6(6) . . ?
C26 C18B C28B 36.5(3) . . ?
C13 C18B C15 126.0(6) . . ?
C14 C18B C15 53.0(5) . . ?
C25 C18B C15 148.7(6) . . ?
C16B C18B C15 18.0(4) . . ?
C26 C18B C15 85.2(5) . . ?
C28B C18B C15 119.2(6) . . ?
C13 C18B C19B 17.4(4) . . ?
C14 C18B C19B 58.0(4) . . ?
C25 C18B C19B 91.7(5) . . ?
C16B C18B C19B 126.6(6) . . ?
C26 C18B C19B 153.9(6) . . ?
C28B C18B C19B 120.6(6) . . ?
C15 C18B C19B 108.6(5) . . ?
C13B C19 C14B 109.2(11) . . ?
C13B C19 C20C 60.2(10) . . ?
C14B C19 C20C 156.2(6) . . ?
C13B C19 C20 79.1(10) . . ?
C14B C19 C20 153.2(6) . . ?
C20C C19 C20 19.1(3) . . ?
C13B C19 C18 61.7(9) . . ?
C14B C19 C18 47.9(4) . . ?
C20C C19 C18 119.8(6) . . ?
C20 C19 C18 136.4(7) . . ?
C13B C19 C8 159.9(12) . . ?
C14B C19 C8 61.5(5) . . ?
C20C C19 C8 120.4(6) . . ?
C20 C19 C8 101.9(6) . . ?
C18 C19 C8 108.6(5) . . ?
C13B C19 C5B 145.6(11) . . ?
C14B C19 C5B 43.9(4) . . ?
C20C C19 C5B 133.1(5) . . ?
C20 C19 C5B 116.2(5) . . ?
C18 C19 C5B 90.3(4) . . ?
C8 C19 C5B 18.3(3) . . ?
C13B C19 C25B 18.0(9) . . ?
C14B C19 C25B 91.8(5) . . ?
C20C C19 C25B 74.6(5) . . ?
C20 C19 C25B 92.5(5) . . ?
C18 C19 C25B 45.4(4) . . ?
C8 C19 C25B 144.6(5) . . ?
C5B C19 C25B 128.1(4) . . ?
C13 C19B C12 101.8(13) . . ?
C13 C19B C14 91.2(12) . . ?
C12 C19B C14 158.4(7) . . ?
C13 C19B C20D 83.3(12) . . ?
C12 C19B C20D 18.7(4) . . ?
C14 C19B C20D 159.6(6) . . ?
C13 C19B C8B 148.3(13) . . ?
C12 C19B C8B 104.2(7) . . ?
C14 C19B C8B 58.9(4) . . ?
C20D C19B C8B 120.8(6) . . ?
C13 C19B C18B 41.8(10) . . ?
C12 C19B C18B 137.2(7) . . ?
C14 C19B C18B 50.1(4) . . ?
C20D C19B C18B 119.3(6) . . ?
C8B C19B C18B 106.7(5) . . ?
C13 C19B C25 13.5(10) . . ?
C12 C19B C25 99.4(6) . . ?
C14 C19B C25 89.2(5) . . ?
C20D C19B C25 80.8(5) . . ?
C8B C19B C25 140.6(5) . . ?
C18B C19B C25 39.4(3) . . ?
C21 C20 C19 149.7(7) . . ?
C21 C20 C13B 159.7(7) . . ?
C19 C20 C13B 23.9(3) . . ?
C21 C20 C22 54.9(4) . 5_665 ?
C19 C20 C22 141.4(7) . 5_665 ?
C13B C20 C22 119.5(7) . 5_665 ?
C21 C20 C10 56.2(5) . . ?
C19 C20 C10 96.4(6) . . ?
C13B C20 C10 118.8(6) . . ?
C22 C20 C10 109.3(5) 5_665 . ?
C21 C20 C30 100.1(5) . . ?
C19 C20 C30 97.9(5) . . ?
C13B C20 C30 74.4(5) . . ?
C22 C20 C30 45.8(4) 5_665 . ?
C10 C20 C30 146.6(5) . . ?
C21 C20 C9B 40.8(4) . 5_665 ?
C19 C20 C9B 110.5(5) . 5_665 ?
C13B C20 C9B 131.1(6) . 5_665 ?
C22 C20 C9B 93.4(4) 5_665 5_665 ?
C10 C20 C9B 15.9(3) . 5_665 ?
C30 C20 C9B 133.2(4) . 5_665 ?
C13B C20C C22 148.1(7) . 5_665 ?
C13B C20C C19 24.7(3) . . ?
C22 C20C C19 156.4(6) 5_665 . ?
C13B C20C C30 97.2(6) . . ?
C22 C20C C30 56.8(4) 5_665 . ?
C19 C20C C30 120.9(6) . . ?
C13B C20C C21 141.3(7) . . ?
C22 C20C C21 51.2(4) 5_665 . ?
C19 C20C C21 119.7(6) . . ?
C30 C20C C21 107.0(5) . . ?
C13B C20C C10 102.3(6) . . ?
C22 C20C C10 91.2(5) 5_665 . ?
C19 C20C C10 78.8(5) . . ?
C30 C20C C10 140.8(5) . . ?
C21 C20C C10 41.3(3) . . ?
C22 C20D C19B 158.9(7) . . ?
C22 C20D C21 56.2(4) . 5_665 ?
C19B C20D C21 117.9(7) . 5_665 ?
C22 C20D C30B 56.3(5) . . ?
C19B C20D C30B 119.4(6) . . ?
C21 C20D C30B 111.0(6) 5_665 . ?
C22 C20D C13 151.6(7) . . ?
C19B C20D C13 20.6(3) . . ?
C21 C20D C13 136.9(7) 5_665 . ?
C30B C20D C13 100.0(6) . . ?
C22 C20D C11 99.1(5) . . ?
C19B C20D C11 74.3(5) . . ?
C21 C20D C11 44.0(3) 5_665 . ?
C30B C20D C11 146.1(5) . . ?
C13 C20D C11 94.4(5) . . ?
C22 C20D C23 42.1(4) . . ?
C19B C20D C23 130.1(6) . . ?
C21 C20D C23 96.1(4) 5_665 . ?
C30B C20D C23 15.0(3) . . ?
C13 C20D C23 112.3(5) . . ?
C11 C20D C23 132.9(4) . . ?
C20 C21 C22 74.2(5) . 5_665 ?
C20 C21 C10 73.8(6) . . ?
C22 C21 C10 143.7(6) 5_665 . ?
C20 C21 C11 138.2(6) . 5_665 ?
C22 C21 C11 134.5(6) 5_665 5_665 ?
C10 C21 C11 67.2(4) . 5_665 ?
C20 C21 C12 140.0(7) . 5_665 ?
C22 C21 C12 69.0(5) 5_665 5_665 ?
C10 C21 C12 132.9(6) . 5_665 ?
C11 C21 C12 68.1(5) 5_665 5_665 ?
C20 C21 C9B 105.6(6) . 5_665 ?
C22 C21 C9B 158.1(6) 5_665 5_665 ?
C10 C21 C9B 32.2(3) . 5_665 ?
C11 C21 C9B 35.2(3) 5_665 5_665 ?
C12 C21 C9B 102.8(6) 5_665 5_665 ?
C20 C21 C20D 121.4(6) . 5_665 ?
C22 C21 C20D 48.9(5) 5_665 5_665 ?
C10 C21 C20D 148.3(6) . 5_665 ?
C11 C21 C20D 87.7(5) 5_665 5_665 ?
C12 C21 C20D 20.1(3) 5_665 5_665 ?
C9B C21 C20D 121.7(6) 5_665 5_665 ?
C20 C21 C20C 14.9(4) . . ?
C22 C21 C20C 59.4(4) 5_665 . ?
C10 C21 C20C 88.2(5) . . ?
C11 C21 C20C 149.0(5) 5_665 . ?
C12 C21 C20C 126.3(6) 5_665 . ?
C9B C21 C20C 119.4(5) 5_665 . ?
C20D C21 C20C 107.0(5) 5_665 . ?
C20D C22 C21 74.9(6) . 5_665 ?
C20D C22 C30B 75.4(6) . . ?
C21 C22 C30B 146.8(6) 5_665 . ?
C20D C22 C30 141.2(7) . 5_665 ?
C21 C22 C30 133.7(6) 5_665 5_665 ?
C30B C22 C30 68.4(4) . 5_665 ?
C20D C22 C20C 141.7(7) . 5_665 ?
C21 C22 C20C 69.4(5) 5_665 5_665 ?
C30B C22 C20C 132.6(6) . 5_665 ?
C30 C22 C20C 66.0(5) 5_665 5_665 ?
C20D C22 C23 105.4(6) . . ?
C21 C22 C23 159.4(6) 5_665 . ?
C30B C22 C23 30.6(3) . . ?
C30 C22 C23 37.7(3) 5_665 . ?
C20C C22 C23 103.1(5) 5_665 . ?
C20D C22 C20 124.0(6) . 5_665 ?
C21 C22 C20 50.8(5) 5_665 5_665 ?
C30B C22 C20 147.4(6) . 5_665 ?
C30 C22 C20 84.1(5) 5_665 5_665 ?
C20C C22 C20 18.6(3) 5_665 5_665 ?
C23 C22 C20 120.3(6) . 5_665 ?
C20D C22 C12 15.2(4) . . ?
C21 C22 C12 59.7(4) 5_665 . ?
C30B C22 C12 89.9(5) . . ?
C30 C22 C12 151.6(6) 5_665 . ?
C20C C22 C12 127.1(6) 5_665 . ?
C23 C22 C12 119.1(5) . . ?
C20 C22 C12 109.0(5) 5_665 . ?
C30B C23 C30 131.5(10) . 5_665 ?
C30B C23 C22 63.0(7) . . ?
C30 C23 C22 68.7(6) 5_665 . ?
C30B C23 C24 58.8(6) . . ?
C30 C23 C24 157.3(7) 5_665 . ?
C22 C23 C24 118.4(5) . . ?
C30B C23 C29 160.2(8) . 5_665 ?
C30 C23 C29 52.1(5) 5_665 5_665 ?
C22 C23 C29 117.4(5) . 5_665 ?
C24 C23 C29 110.6(4) . 5_665 ?
C30B C23 C20D 31.6(6) . . ?
C30 C23 C20D 100.2(6) 5_665 . ?
C22 C23 C20D 32.5(3) . . ?
C24 C23 C20D 86.2(4) . . ?
C29 C23 C20D 141.5(4) 5_665 . ?
C30B C24 C25 93.7(4) . . ?
C30B C24 C31 127.4(3) . . ?
C25 C24 C31 127.7(4) . . ?
C30B C24 C23 27.1(3) . . ?
C25 C24 C23 119.5(4) . . ?
C31 C24 C23 101.3(3) . . ?
C30B C24 C28B 118.7(4) . . ?
C25 C24 C28B 27.6(3) . . ?
C31 C24 C28B 100.5(3) . . ?
C23 C24 C28B 140.9(4) . . ?
C28B C25 C18B 84.8(7) . . ?
C28B C25 C24 92.9(7) . . ?
C18B C25 C24 154.4(5) . . ?
C28B C25 C26 26.6(6) . . ?
C18B C25 C26 58.7(4) . . ?
C24 C25 C26 118.4(5) . . ?
C28B C25 C13 131.9(8) . . ?
C18B C25 C13 49.3(4) . . ?
C24 C25 C13 121.6(5) . . ?
C26 C25 C13 107.3(4) . . ?
C28B C25 C30B 131.2(8) . . ?
C18B C25 C30B 125.0(5) . . ?
C24 C25 C30B 42.8(3) . . ?
C26 C25 C30B 149.2(4) . . ?
C13 C25 C30B 79.5(4) . . ?
C28B C25 C19B 129.6(8) . . ?
C18B C25 C19B 48.9(4) . . ?
C24 C25 C19B 119.6(4) . . ?
C26 C25 C19B 106.0(4) . . ?
C13 C25 C19B 4.7(3) . . ?
C30B C25 C19B 78.3(3) . . ?
C28 C25B C29 106.8(7) . . ?
C28 C25B C18 70.7(6) . . ?
C29 C25B C18 159.9(6) . . ?
C28 C25B C26B 15.1(5) . . ?
C29 C25B C26B 116.5(5) . . ?
C18 C25B C26B 57.4(4) . . ?
C28 C25B C13B 122.5(8) . . ?
C29 C25B C13B 123.7(6) . . ?
C18 C25B C13B 52.3(4) . . ?
C26B C25B C13B 108.1(5) . . ?
C28 C25B C30 150.6(7) . . ?
C29 C25B C30 47.5(3) . . ?
C18 C25B C30 127.4(5) . . ?
C26B C25B C30 151.3(5) . . ?
C13B C25B C30 77.0(4) . . ?
C28 C25B C19 115.8(7) . . ?
C29 C25B C19 128.0(5) . . ?
C18 C25B C19 46.0(3) . . ?
C26B C25B C19 101.2(4) . . ?
C13B C25B C19 7.0(3) . . ?
C30 C25B C19 82.4(4) . . ?
C28B C26 C27 92.9(6) . . ?
C28B C26 C18B 75.6(6) . . ?
C27 C26 C18B 152.2(5) . . ?
C28B C26 C25 22.4(5) . . ?
C27 C26 C25 114.4(5) . . ?
C18B C26 C25 53.6(4) . . ?
C28B C26 C16B 129.2(7) . . ?
C27 C26 C16B 123.3(5) . . ?
C18B C26 C16B 55.6(4) . . ?
C25 C26 C16B 108.5(5) . . ?
C28B C26 C26B 131.0(6) . . ?
C27 C26 C26B 43.0(3) . . ?
C18B C26 C26B 130.9(5) . . ?
C25 C26 C26B 146.4(4) . . ?
C16B C26 C26B 81.2(4) . . ?
C28B C26 C15 122.7(6) . . ?
C27 C26 C15 125.0(4) . . ?
C18B C26 C15 50.3(4) . . ?
C25 C26 C15 102.5(4) . . ?
C16B C26 C15 7.0(4) . . ?
C26B C26 C15 84.2(3) . . ?
C28 C26B C27 107.7(8) . . ?
C28 C26B C18 74.7(7) . . ?
C27 C26B C18 161.7(6) . . ?
C28 C26B C25B 16.0(5) . . ?
C27 C26B C25B 118.3(5) . . ?
C18 C26B C25B 60.6(4) . . ?
C28 C26B C15B 123.0(8) . . ?
C27 C26B C15B 123.8(6) . . ?
C18 C26B C15B 48.7(4) . . ?
C25B C26B C15B 108.0(5) . . ?
C28 C26B C26 151.9(8) . . ?
C27 C26B C26 46.4(3) . . ?
C18 C26B C26 125.9(5) . . ?
C25B C26B C26 154.2(5) . . ?
C15B C26B C26 78.3(4) . . ?
C28 C26B C16 120.1(7) . . ?
C27 C26B C16 124.9(5) . . ?
C18 C26B C16 46.4(3) . . ?
C25B C26B C16 104.8(4) . . ?
C15B C26B C16 4.1(3) . . ?
C26 C26B C16 80.0(3) . . ?
C26B C27 C26 90.6(4) . . ?
C26B C27 C32 127.9(4) . . ?
C26 C27 C32 130.8(4) . . ?
C26B C27 C28B 119.3(4) . . ?
C26 C27 C28B 31.9(3) . . ?
C32 C27 C28B 99.3(3) . . ?
C26B C27 C28 25.4(3) . . ?
C26 C27 C28 115.3(4) . . ?
C32 C27 C28 103.7(3) . . ?
C28B C27 C28 140.8(3) . . ?
C26B C28 C25B 148.9(10) . . ?
C26B C28 C18 74.7(7) . . ?
C25B C28 C18 77.5(6) . . ?
C26B C28 C27 46.9(6) . . ?
C25B C28 C27 147.8(7) . . ?
C18 C28 C27 119.0(5) . . ?
C26B C28 C29 147.3(7) . . ?
C25B C28 C29 46.3(6) . . ?
C18 C28 C29 120.6(5) . . ?
C27 C28 C29 105.3(3) . . ?
C26B C28 C15B 38.8(6) . . ?
C25B C28 C15B 111.4(7) . . ?
C18 C28 C15B 36.2(3) . . ?
C27 C28 C15B 83.1(3) . . ?
C29 C28 C15B 144.2(4) . . ?
C26B C28 C13B 111.6(7) . . ?
C25B C28 C13B 38.4(6) . . ?
C18 C28 C13B 39.6(3) . . ?
C27 C28 C13B 144.9(4) . . ?
C29 C28 C13B 81.6(3) . . ?
C15B C28 C13B 73.2(3) . . ?
C25 C28B C26 131.0(10) . . ?
C25 C28B C18B 63.8(7) . . ?
C26 C28B C18B 67.9(6) . . ?
C25 C28B C24 59.5(6) . . ?
C26 C28B C24 163.6(7) . . ?
C18B C28B C24 118.2(5) . . ?
C25 C28B C27 166.0(8) . . ?
C26 C28B C27 55.2(5) . . ?
C18B C28B C27 118.0(5) . . ?
C24 C28B C27 111.6(4) . . ?
C25 C28B C13 32.6(6) . . ?
C26 C28B C13 100.7(6) . . ?
C18B C28B C13 33.1(3) . . ?
C24 C28B C13 85.5(4) . . ?
C27 C28B C13 143.7(4) . . ?
C25B C29 C30 87.8(4) . . ?
C25B C29 C33 129.5(4) . . ?
C30 C29 C33 131.0(4) . . ?
C25B C29 C23 118.6(4) . 5_665 ?
C30 C29 C23 32.8(3) . 5_665 ?
C33 C29 C23 99.2(3) . 5_665 ?
C25B C29 C28 26.9(3) . . ?
C30 C29 C28 113.6(4) . . ?
C33 C29 C28 103.6(3) . . ?
C23 C29 C28 140.9(3) 5_665 . ?
C23 C30 C29 95.1(6) 5_665 . ?
C23 C30 C22 73.6(6) 5_665 5_665 ?
C29 C30 C22 155.9(6) . 5_665 ?
C23 C30 C30B 21.4(5) 5_665 5_665 ?
C29 C30 C30B 114.2(5) . 5_665 ?
C22 C30 C30B 52.3(4) 5_665 5_665 ?
C23 C30 C20C 129.6(7) 5_665 . ?
C29 C30 C20C 125.4(5) . . ?
C22 C30 C20C 57.2(4) 5_665 . ?
C30B C30 C20C 108.4(5) 5_665 . ?
C23 C30 C25B 136.4(7) 5_665 . ?
C29 C30 C25B 44.7(3) . . ?
C22 C30 C25B 134.5(5) 5_665 . ?
C30B C30 C25B 148.3(5) 5_665 . ?
C20C C30 C25B 81.5(4) . . ?
C23 C30 C20 121.7(6) 5_665 . ?
C29 C30 C20 129.7(5) . . ?
C22 C30 C20 50.1(4) 5_665 . ?
C30B C30 C20 100.6(4) 5_665 . ?
C20C C30 C20 8.0(4) . . ?
C25B C30 C20 87.1(4) . . ?
C23 C30 C13B 152.9(7) 5_665 . ?
C29 C30 C13B 89.4(4) . . ?
C22 C30 C13B 91.8(4) 5_665 . ?
C30B C30 C13B 137.4(5) 5_665 . ?
C20C C30 C13B 36.4(3) . . ?
C25B C30 C13B 45.1(3) . . ?
C20 C30 C13B 42.3(3) . . ?
C23 C30B C22 86.4(7) . . ?
C23 C30B C24 94.0(7) . . ?
C22 C30B C24 158.8(5) . . ?
C23 C30B C20D 133.4(8) . . ?
C22 C30B C20D 48.3(4) . . ?
C24 C30B C20D 123.7(5) . . ?
C23 C30B C30 27.1(6) . 5_665 ?
C22 C30B C30 59.4(4) . 5_665 ?
C24 C30B C30 118.3(5) . 5_665 ?
C20D C30B C30 106.6(5) . 5_665 ?
C23 C30B C12 133.7(8) . . ?
C22 C30B C12 49.9(4) . . ?
C24 C30B C12 120.9(4) . . ?
C20D C30B C12 3.9(4) . . ?
C30 C30B C12 107.2(4) 5_665 . ?
C23 C30B C25 135.0(8) . . ?
C22 C30B C25 126.9(5) . . ?
C24 C30B C25 43.5(3) . . ?
C20D C30B C25 80.9(4) . . ?
C30 C30B C25 150.4(5) 5_665 . ?
C12 C30B C25 78.5(3) . . ?
C33 C31 C32 119.8(3) 5_665 . ?
C33 C31 C24 114.3(3) 5_665 . ?
C32 C31 C24 114.1(3) . . ?
C33 C32 C31 120.1(3) . . ?
C33 C32 C27 113.8(3) . . ?
C31 C32 C27 114.3(3) . . ?
C31 C33 C32 120.1(3) 5_665 . ?
C31 C33 C29 114.4(3) 5_665 . ?
C32 C33 C29 113.4(3) . . ?
C102 C101 C1 115.6(2) . . ?
C103 C102 C107 115.6(3) . . ?
C103 C102 C101 121.4(2) . . ?
C107 C102 C101 122.8(2) . . ?
F1 C103 C104 117.6(3) . . ?
F1 C103 C102 119.1(2) . . ?
C104 C103 C102 123.1(3) . . ?
F2 C104 C103 120.4(3) . . ?
F2 C104 C105 120.4(3) . . ?
C103 C104 C105 119.1(3) . . ?
F4 C105 C106 120.1(3) . . ?
F4 C105 C104 120.1(3) . . ?
C106 C105 C104 119.8(3) . . ?
F3 C106 C105 120.2(3) . . ?
F3 C106 C107 120.3(3) . . ?
C105 C106 C107 119.5(3) . . ?
F5 C107 C106 118.4(3) . . ?
F5 C107 C102 118.7(3) . . ?
C106 C107 C102 122.8(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.516(4) . ?
C1 C3 1.533(3) . ?
C1 C6 1.545(4) . ?
C1 C101 1.561(3) . ?
C2 C3 1.363(4) 5_665 ?
C2 C4 1.447(4) . ?
C3 C2 1.363(4) 5_665 ?
C3 C9 1.442(4) . ?
C4 C8B 1.246(6) . ?
C4 C11 1.280(6) . ?
C4 C5 1.600(6) . ?
C4 C9B 1.602(7) . ?
C5 C7B 0.774(6) . ?
C5 C8B 0.813(6) . ?
C5 C14 1.382(7) . ?
C5 C6 1.586(6) . ?
C5 C15 2.016(10) . ?
C5B C8 0.732(6) . ?
C5B C7 0.793(6) . ?
C5B C14B 1.374(8) . ?
C5B C9 1.591(7) . ?
C5B C6 1.601(7) . ?
C5B C19 1.952(9) . ?
C5B C16 1.985(9) . ?
C6 C7 1.232(6) . ?
C6 C7B 1.261(6) . ?
C7 C14B 1.398(8) . ?
C7 C16 1.448(9) . ?
C7 C8 1.469(7) . ?
C7 C7B 1.758(8) . ?
C7 C15B 1.970(9) . ?
C7B C14 1.327(7) . ?
C7B C15 1.452(10) . ?
C7B C8B 1.490(7) . ?
C7B C16B 1.901(10) . ?
C8 C9 1.269(6) . ?
C8 C14B 1.367(8) . ?
C8 C19 1.455(9) . ?
C8 C10 1.853(8) . ?
C8 C13B 2.008(10) . ?
C8B C14 1.364(7) . ?
C8B C19B 1.449(9) . ?
C8B C11 1.765(7) . ?
C8B C13 1.905(9) . ?
C9 C10 1.306(6) . ?
C9 C9B 1.566(7) 5_665 ?
C9B C10 0.735(6) 5_665 ?
C9B C11 0.815(6) . ?
C9B C21 1.367(8) 5_665 ?
C9B C9 1.566(7) 5_665 ?
C9B C20 2.014(10) 5_665 ?
C10 C9B 0.735(6) 5_665 ?
C10 C21 1.255(8) . ?
C10 C11 1.426(7) 5_665 ?
C10 C20 1.450(10) . ?
C10 C20C 1.900(10) . ?
C11 C21 1.320(7) 5_665 ?
C11 C10 1.426(7) 5_665 ?
C11 C12 1.496(9) . ?
C11 C20D 1.899(10) . ?
C12 C19B 1.169(9) . ?
C12 C21 1.351(8) 5_665 ?
C12 C13 1.370(8) . ?
C12 C22 1.460(8) . ?
C12 C30B 1.909(10) . ?
C13 C19B 0.514(7) . ?
C13 C18B 1.146(8) . ?
C13 C14 1.424(8) . ?
C13 C20D 1.452(9) . ?
C13 C25 1.464(9) . ?
C13 C28B 2.018(10) . ?
C13B C19 0.578(7) . ?
C13B C20C 1.200(9) . ?
C13B C18 1.272(8) . ?
C13B C20 1.402(9) . ?
C13B C25B 1.460(10) . ?
C13B C14B 1.470(9) . ?
C13B C28 1.983(9) . ?
C13B C30 2.008(9) . ?
C14 C18B 1.193(8) . ?
C14 C15 1.201(9) . ?
C14 C19B 1.318(8) . ?
C14 C16B 1.448(8) . ?
C14B C18 1.089(8) . ?
C14B C19 1.175(8) . ?
C14B C16 1.237(8) . ?
C14B C15B 1.415(8) . ?
C15 C16 1.288(9) . ?
C15 C15B 1.412(9) . ?
C15 C18B 1.449(9) . ?
C15 C26 1.875(10) . ?
C15B C16 0.567(7) . ?
C15B C18 1.174(8) . ?
C15B C16B 1.293(9) . ?
C15B C26B 1.462(9) . ?
C15B C28 1.957(9) . ?
C16 C16B 1.354(9) . ?
C16 C18 1.459(9) . ?
C16 C26B 2.016(10) . ?
C16B C18B 1.307(9) . ?
C16B C26 1.470(9) . ?
C18 C26B 1.377(8) . ?
C18 C28 1.377(8) . ?
C18 C25B 1.424(8) . ?
C18 C19 1.439(8) . ?
C18B C25 1.242(8) . ?
C18B C26 1.319(8) . ?
C18B C28B 1.379(8) . ?
C18B C19B 1.477(9) . ?
C19 C20C 1.377(9) . ?
C19 C20 1.391(9) . ?
C19 C25B 1.999(10) . ?
C19B C20D 1.420(9) . ?
C19B C25 1.958(10) . ?
C20 C21 1.156(9) . ?
C20 C22 1.435(9) 5_665 ?
C20 C30 1.862(10) . ?
C20 C9B 2.014(10) 5_665 ?
C20C C22 1.348(8) 5_665 ?
C20C C30 1.466(9) . ?
C20C C21 1.467(8) . ?
C20D C22 1.107(9) . ?
C20D C21 1.419(8) 5_665 ?
C20D C30B 1.434(10) . ?
C20D C23 1.986(10) . ?
C21 C22 1.221(8) 5_665 ?
C21 C11 1.320(7) 5_665 ?
C21 C12 1.351(8) 5_665 ?
C21 C9B 1.367(8) 5_665 ?
C21 C20D 1.419(8) 5_665 ?
C22 C21 1.221(8) 5_665 ?
C22 C30B 1.233(8) . ?
C22 C30 1.342(8) 5_665 ?
C22 C20C 1.348(8) 5_665 ?
C22 C23 1.382(8) . ?
C22 C20 1.435(9) 5_665 ?
C23 C30B 0.706(6) . ?
C23 C30 0.882(7) 5_665 ?
C23 C24 1.544(6) . ?
C23 C29 1.622(7) 5_665 ?
C24 C30B 1.325(6) . ?
C24 C25 1.343(6) . ?
C24 C31 1.442(4) . ?
C24 C28B 1.556(7) . ?
C25 C28B 0.722(6) . ?
C25 C26 1.429(8) . ?
C25 C30B 1.946(8) . ?
C25B C28 0.769(6) . ?
C25B C29 1.227(7) . ?
C25B C26B 1.442(8) . ?
C25B C30 1.744(8) . ?
C26 C28B 0.848(7) . ?
C26 C27 1.315(6) . ?
C26 C26B 1.815(9) . ?
C26B C28 0.729(6) . ?
C26B C27 1.238(7) . ?
C27 C32 1.444(4) . ?
C27 C28B 1.600(8) . ?
C27 C28 1.616(7) . ?
C28 C29 1.625(7) . ?
C29 C30 1.286(6) . ?
C29 C33 1.443(4) . ?
C29 C23 1.622(7) 5_665 ?
C30 C23 0.882(7) 5_665 ?
C30 C22 1.342(8) 5_665 ?
C30 C30B 1.450(8) 5_665 ?
C30B C30 1.450(8) 5_665 ?
C31 C33 1.417(4) 5_665 ?
C31 C32 1.426(4) . ?
C32 C33 1.419(4) . ?
C33 C31 1.417(4) 5_665 ?
C101 C102 1.497(4) . ?
C102 C103 1.385(4) . ?
C102 C107 1.394(4) . ?
C103 F1 1.345(3) . ?
C103 C104 1.375(4) . ?
C104 F2 1.329(4) . ?
C104 C105 1.388(5) . ?
C105 F4 1.334(4) . ?
C105 C106 1.374(5) . ?
C106 F3 1.341(4) . ?
C106 C107 1.377(4) . ?
C107 F5 1.339(3) . ?
