#------------------------------------------------------------------------------
#$Date: 2017-10-07 08:35:01 +0300 (Sat, 07 Oct 2017) $
#$Revision: 201850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/92/7229294.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_7229294
loop_
_publ_author_name
'Hempe, M.'
'Reggelin, M.'
_publ_section_title
;
 Molecular packing and morphological stability of
 dihydro-indeno[1,2-b]fluorenes in the context of their substitution
 pattern
;
_journal_issue                   75
_journal_name_full               'RSC Adv.'
_journal_page_first              47183
_journal_paper_doi               10.1039/C7RA09401A
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety         'C60 H62, C10'
_chemical_formula_sum            'C70 H62'
_chemical_formula_weight         903.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-08-14 deposited with the CCDC.
2017-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                102.39(2)
_cell_angle_beta                 115.41(3)
_cell_angle_gamma                107.53(3)
_cell_formula_units_Z            1
_cell_length_a                   11.660(4)
_cell_length_b                   11.794(3)
_cell_length_c                   11.944(3)
_cell_measurement_reflns_used    1361
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.95
_cell_measurement_theta_min      2.94
_cell_volume                     1297.1(9)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction Ltd., 2009)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction Ltd., 2009)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction Ltd., 2009)
;
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
;  
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer 
with Sapphire CCD Detector.
;
_diffrn_measurement_method
;
Rotation method data acquisition using omega scans.
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_unetI/netI     0.1061
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8235
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         2.941
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd., 2009
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_description       prism
_exptl_crystal_F_000             482
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         4703
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.2161
_refine_ls_R_factor_gt           0.1147
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1331P)²+2.3916P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2738
_refine_ls_wR_factor_ref         0.3353
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2248
_reflns_number_total             4703
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ra09401a2.cif
_cod_data_source_block           1336m
_cod_original_cell_volume        1297.1(7)
_cod_database_code               7229294
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.987
_shelx_estimated_absorpt_t_max   0.996
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.1978(5) 0.3544(5) 0.2203(5) 0.0344(12) Uani 1 1 d . . . . .
C2 C -0.3235(6) 0.2420(5) 0.1397(5) 0.0463(14) Uani 1 1 d . . . . .
H2 H -0.3626 0.1951 0.1784 0.056 Uiso 1 1 calc R U . . .
C3 C -0.3904(7) 0.2002(6) 0.0013(6) 0.0553(16) Uani 1 1 d . . . . .
H3 H -0.4744 0.1238 -0.0539 0.066 Uiso 1 1 calc R U . . .
C4 C -0.3336(7) 0.2708(6) -0.0565(6) 0.0582(17) Uani 1 1 d . . . . .
H4 H -0.3799 0.2416 -0.1501 0.070 Uiso 1 1 calc R U . . .
C5 C -0.2096(6) 0.3837(6) 0.0230(5) 0.0482(14) Uani 1 1 d . . . . .
H5 H -0.1727 0.4316 -0.0162 0.058 Uiso 1 1 calc R U . . .
C6 C -0.1403(5) 0.4252(5) 0.1619(5) 0.0385(13) Uani 1 1 d . . . . .
C7 C 0.0009(5) 0.5432(5) 0.2695(5) 0.0364(12) Uani 1 1 d . . . . .
C8 C 0.0126(5) 0.5305(5) 0.3992(5) 0.0339(12) Uani 1 1 d . . . . .
C9 C -0.1039(5) 0.4203(5) 0.3674(5) 0.0334(12) Uani 1 1 d . . . . .
C10 C 0.1173(6) 0.6105(5) 0.5314(5) 0.0375(12) Uani 1 1 d . . . . .
H10 H 0.1951 0.6834 0.5527 0.045 Uiso 1 1 calc R U . . .
C11 C 0.1266(5) 0.5324(5) 0.2638(5) 0.0358(12) Uani 1 1 d . . . . .
C12 C 0.1166(6) 0.4164(5) 0.1965(5) 0.0446(13) Uani 1 1 d . . . . .
H12 H 0.0296 0.3430 0.1468 0.054 Uiso 1 1 calc R U . . .
C13 C 0.2335(7) 0.4070(6) 0.2014(6) 0.0544(16) Uani 1 1 d . . . . .
H13 H 0.2227 0.3268 0.1544 0.065 Uiso 1 1 calc R U . . .
C14 C 0.3652(6) 0.5111(6) 0.2726(6) 0.0509(15) Uani 1 1 d . . . . .
C15 C 0.3736(6) 0.6270(6) 0.3380(6) 0.0519(15) Uani 1 1 d . . . . .
H15 H 0.4605 0.7003 0.3864 0.062 Uiso 1 1 calc R U . . .
C16 C 0.2585(6) 0.6391(5) 0.3350(5) 0.0444(14) Uani 1 1 d . . . . .
H16 H 0.2694 0.7196 0.3812 0.053 Uiso 1 1 calc R U . . .
C17 C -0.0110(5) 0.6672(5) 0.2588(5) 0.0393(13) Uani 1 1 d . . . . .
C18 C -0.0601(7) 0.7275(6) 0.3268(6) 0.0541(16) Uani 1 1 d . . . . .
H18 H -0.0786 0.6971 0.3859 0.065 Uiso 1 1 calc R U . . .
C19 C -0.0823(7) 0.8321(6) 0.3091(7) 0.0609(17) Uani 1 1 d . . . . .
H19 H -0.1176 0.8692 0.3553 0.073 Uiso 1 1 calc R U . . .
C20 C -0.0544(6) 0.8834(5) 0.2263(6) 0.0510(15) Uani 1 1 d . . . . .
C21 C -0.0035(7) 0.8222(6) 0.1593(6) 0.0532(16) Uani 1 1 d . . . . .
H21 H 0.0168 0.8536 0.1016 0.064 Uiso 1 1 calc R U . . .
C22 C 0.0179(6) 0.7176(6) 0.1752(6) 0.0514(15) Uani 1 1 d . . . . .
H22 H 0.0527 0.6799 0.1288 0.062 Uiso 1 1 calc R U . . .
C23 C 0.4911(7) 0.4935(8) 0.2748(7) 0.073(2) Uani 1 1 d D U . . .
C24 C 0.490(2) 0.489(2) 0.1486(15) 0.105(6) Uani 0.71(2) 1 d D U P A 1
H24A H 0.5690 0.4753 0.1531 0.157 Uiso 0.71(2) 1 calc R U P A 1
H24B H 0.4972 0.5688 0.1392 0.157 Uiso 0.71(2) 1 calc R U P A 1
H24C H 0.4032 0.4183 0.0722 0.157 Uiso 0.71(2) 1 calc R U P A 1
C24' C 0.440(3) 0.431(3) 0.1241(18) 0.067(9) Uani 0.29(2) 1 d D U P A 2
H24D H 0.3845 0.4680 0.0739 0.101 Uiso 0.29(2) 1 calc R U P A 2
H24E H 0.3841 0.3393 0.0895 0.101 Uiso 0.29(2) 1 calc R U P A 2
H24F H 0.5213 0.4473 0.1152 0.101 Uiso 0.29(2) 1 calc R U P A 2
C25 C 0.6342(11) 0.6016(15) 0.4024(16) 0.103(6) Uani 0.71(2) 1 d D U P A 1
H25A H 0.6273 0.6113 0.4808 0.154 Uiso 0.71(2) 1 calc R U P A 1
H25B H 0.6543 0.6821 0.3912 0.154 Uiso 0.71(2) 1 calc R U P A 1
H25C H 0.7092 0.5781 0.4137 0.154 Uiso 0.71(2) 1 calc R U P A 1
C25' C 0.610(4) 0.632(2) 0.320(5) 0.107(9) Uani 0.29(2) 1 d D U P A 2
H25D H 0.5768 0.6642 0.2510 0.161 Uiso 0.29(2) 1 calc R U P A 2
H25E H 0.6940 0.6251 0.3325 0.161 Uiso 0.29(2) 1 calc R U P A 2
H25F H 0.6298 0.6897 0.4029 0.161 Uiso 0.29(2) 1 calc R U P A 2
C26 C 0.4895(16) 0.3685(14) 0.2958(17) 0.083(4) Uani 0.71(2) 1 d D U P A 1
H26A H 0.4648 0.3612 0.3619 0.124 Uiso 0.71(2) 1 calc R U P A 1
H26B H 0.5818 0.3719 0.3269 0.124 Uiso 0.71(2) 1 calc R U P A 1
H26C H 0.4210 0.2947 0.2118 0.124 Uiso 0.71(2) 1 calc R U P A 1
C26' C 0.539(5) 0.418(4) 0.356(4) 0.116(16) Uani 0.29(2) 1 d D U P A 3
H26D H 0.5879 0.4707 0.4505 0.175 Uiso 0.29(2) 1 calc R U P A 3
H26E H 0.6017 0.3919 0.3372 0.175 Uiso 0.29(2) 1 calc R U P A 3
H26F H 0.4579 0.3419 0.3319 0.175 Uiso 0.29(2) 1 calc R U P A 3
C27 C -0.0779(8) 1.0005(6) 0.2089(7) 0.0746(18) Uani 1 1 d D U . . .
C28 C -0.1583(17) 1.0341(14) 0.2721(14) 0.097(4) Uani 0.713(16) 1 d D U P B 1
H28A H -0.1132 1.0407 0.3636 0.145 Uiso 0.713(16) 1 calc R U P B 1
H28B H -0.2543 0.9674 0.2212 0.145 Uiso 0.713(16) 1 calc R U P B 1
H28C H -0.1581 1.1154 0.2716 0.145 Uiso 0.713(16) 1 calc R U P B 1
C28' C -0.045(5) 1.101(3) 0.330(3) 0.095(11) Uani 0.287(16) 1 d D U P B 2
H28D H 0.0440 1.1186 0.4057 0.143 Uiso 0.287(16) 1 calc R U P B 2
H28E H -0.1185 1.0722 0.3482 0.143 Uiso 0.287(16) 1 calc R U P B 2
H28F H -0.0379 1.1792 0.3148 0.143 Uiso 0.287(16) 1 calc R U P B 2
C29 C -0.1772(18) 0.9688(14) 0.0628(11) 0.107(5) Uani 0.713(16) 1 d D U P B 1
H29A H -0.1411 0.9381 0.0103 0.161 Uiso 0.713(16) 1 calc R U P B 1
H29B H -0.1851 1.0453 0.0529 0.161 Uiso 0.713(16) 1 calc R U P B 1
H29C H -0.2690 0.9028 0.0316 0.161 Uiso 0.713(16) 1 calc R U P B 1
C29' C -0.069(4) 1.027(3) 0.093(3) 0.094(10) Uani 0.287(16) 1 d D U P B 2
H29D H -0.1240 0.9480 0.0140 0.141 Uiso 0.287(16) 1 calc R U P B 2
H29E H 0.0281 1.0626 0.1177 0.141 Uiso 0.287(16) 1 calc R U P B 2
H29F H -0.1057 1.0885 0.0752 0.141 Uiso 0.287(16) 1 calc R U P B 2
C30 C 0.0690(15) 1.1085(15) 0.257(2) 0.128(5) Uani 0.713(16) 1 d D U P B 1
H30A H 0.1359 1.1258 0.3484 0.192 Uiso 0.713(16) 1 calc R U P B 1
H30B H 0.0604 1.1861 0.2522 0.192 Uiso 0.713(16) 1 calc R U P B 1
H30C H 0.1015 1.0805 0.1995 0.192 Uiso 0.713(16) 1 calc R U P B 1
C30' C 0.054(3) 1.126(2) 0.325(3) 0.077(9) Uani 0.287(16) 1 d D U P B 3
H30D H 0.0359 1.1993 0.3210 0.115 Uiso 0.287(16) 1 calc R U P B 3
H30E H 0.1339 1.1346 0.3158 0.115 Uiso 0.287(16) 1 calc R U P B 3
H30F H 0.0746 1.1209 0.4103 0.115 Uiso 0.287(16) 1 calc R U P B 3
C31 C 0.3931(14) 0.0100(11) 0.4248(14) 0.137(4) Uani 1 1 d . U . . .
C32 C 0.3432(18) -0.0088(15) 0.5393(19) 0.186(6) Uani 1 1 d . U . . .
C33 C 0.4112(12) -0.0357(9) 0.6345(10) 0.105(3) Uani 1 1 d . U . . .
C34 C 0.456(2) 0.0456(16) 0.3256(18) 0.201(6) Uani 1 1 d . U . . .
C35 C 0.470(3) -0.0094(19) 0.542(2) 0.223(8) Uani 1 1 d . U . . .
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 0.0000 0.0000 '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
C2 C1 C6 120.3(5) . .
C2 C1 C9 131.1(4) . .
C6 C1 C9 108.6(4) . .
C3 C2 C1 119.1(5) . .
C2 C3 C4 120.5(6) . .
C5 C4 C3 120.7(5) . .
C4 C5 C6 119.3(5) . .
C5 C6 C1 120.1(5) . .
C5 C6 C7 128.6(4) . .
C1 C6 C7 111.3(4) . .
C6 C7 C17 109.3(4) . .
C6 C7 C11 112.3(4) . .
C17 C7 C11 113.4(4) . .
C6 C7 C8 100.6(4) . .
C17 C7 C8 112.2(4) . .
C11 C7 C8 108.3(4) . .
C10 C8 C9 120.8(4) . .
C10 C8 C7 128.6(4) . .
C9 C8 C7 110.6(4) . .
C10 C9 C8 120.9(4) 2_566 .
C10 C9 C1 130.2(5) 2_566 .
C8 C9 C1 108.9(4) . .
C8 C10 C9 118.3(5) . 2_566
C12 C11 C16 117.1(5) . .
C12 C11 C7 122.0(5) . .
C16 C11 C7 120.8(5) . .
C11 C12 C13 121.0(5) . .
C14 C13 C12 122.7(6) . .
C13 C14 C15 115.8(5) . .
C13 C14 C23 120.0(6) . .
C15 C14 C23 124.2(6) . .
C14 C15 C16 122.7(6) . .
C15 C16 C11 120.7(5) . .
C22 C17 C18 117.3(5) . .
C22 C17 C7 121.9(5) . .
C18 C17 C7 120.7(4) . .
C19 C18 C17 121.1(5) . .
C20 C19 C18 122.4(6) . .
C19 C20 C21 115.8(5) . .
C19 C20 C27 121.9(6) . .
C21 C20 C27 122.4(5) . .
C22 C21 C20 122.3(5) . .
C21 C22 C17 121.0(5) . .
C24 C23 C14 112.1(8) . .
C26' C23 C14 112.8(19) . .
C24 C23 C26 109.9(10) . .
C14 C23 C26 109.7(7) . .
C14 C23 C24' 104.4(13) . .
C24 C23 C25 111.1(9) . .
C14 C23 C25 110.8(7) . .
C26 C23 C25 102.8(9) . .
C14 C23 C25' 107.6(14) . .
C24' C23 C25' 101.0(18) . .
C28' C27 C29' 123.5(19) . .
C29 C27 C28 101.8(10) . .
C28' C27 C20 116.6(15) . .
C29 C27 C20 110.6(7) . .
C29' C27 C20 114.2(13) . .
C28 C27 C20 112.0(7) . .
C20 C27 C30' 109.0(13) . .
C29 C27 C30 108.3(10) . .
C28 C27 C30 117.5(12) . .
C20 C27 C30 106.5(9) . .
C35 C31 C34 123.6(16) . .
C35 C31 C32 54.4(11) . .
C34 C31 C32 173.6(11) . .
C33 C32 C31 121.5(15) . .
C32 C33 C34 128.2(13) . 2_656
C32 C33 C35 61.7(12) . .
C34 C33 C35 66.5(12) 2_656 .
C33 C34 C35 59.7(10) 2_656 2_656
C33 C34 C31 111.7(12) 2_656 .
C35 C34 C31 52.0(10) 2_656 .
C31 C35 C31 118.6(15) . 2_656
C31 C35 C33 122(2) . .
C31 C35 C33 119(2) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.379(7) .
C1 C6 1.396(7) .
C1 C9 1.463(7) .
C2 C3 1.378(7) .
C3 C4 1.384(8) .
C4 C5 1.372(8) .
C5 C6 1.380(7) .
C6 C7 1.528(7) .
C7 C17 1.536(7) .
C7 C11 1.537(7) .
C7 C8 1.540(6) .
C8 C10 1.373(7) .
C8 C9 1.400(7) .
C9 C10 1.391(6) 2_566
C10 C9 1.391(6) 2_566
C11 C12 1.372(7) .
C11 C16 1.387(7) .
C12 C13 1.378(7) .
C13 C14 1.372(8) .
C14 C15 1.373(8) .
C14 C23 1.534(8) .
C15 C16 1.378(7) .
C17 C22 1.373(7) .
C17 C18 1.375(7) .
C18 C19 1.374(8) .
C19 C20 1.366(8) .
C20 C21 1.390(8) .
C20 C27 1.525(8) .
C21 C22 1.367(7) .
C23 C24 1.491(12) .
C23 C26' 1.502(19) .
C23 C26 1.543(12) .
C23 C24' 1.546(17) .
C23 C25 1.560(13) .
C23 C25' 1.575(19) .
C27 C28' 1.469(19) .
C27 C29 1.501(12) .
C27 C29' 1.519(18) .
C27 C28 1.520(12) .
C27 C30' 1.547(19) .
C27 C30 1.554(14) .
C31 C35 1.42(3) .
C31 C34 1.70(2) .
C31 C32 1.73(2) .
C32 C33 1.247(17) .
C33 C34 1.459(19) 2_656
C33 C35 1.562(19) .
C34 C33 1.459(19) 2_656
C34 C35 1.66(3) 2_656
C35 C31 1.47(3) 2_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 0.7(8) . .
C9 C1 C2 C3 -179.1(5) . .
C1 C2 C3 C4 -1.0(9) . .
C2 C3 C4 C5 0.1(10) . .
C3 C4 C5 C6 1.1(9) . .
C4 C5 C6 C1 -1.5(8) . .
C4 C5 C6 C7 177.1(5) . .
C2 C1 C6 C5 0.6(8) . .
C9 C1 C6 C5 -179.6(5) . .
C2 C1 C6 C7 -178.2(5) . .
C9 C1 C6 C7 1.6(6) . .
C5 C6 C7 C17 61.6(7) . .
C1 C6 C7 C17 -119.8(4) . .
C5 C6 C7 C11 -65.2(7) . .
C1 C6 C7 C11 113.5(4) . .
C5 C6 C7 C8 179.8(5) . .
C1 C6 C7 C8 -1.5(5) . .
C6 C7 C8 C10 -178.9(5) . .
C17 C7 C8 C10 -62.8(7) . .
C11 C7 C8 C10 63.2(6) . .
C6 C7 C8 C9 0.9(5) . .
C17 C7 C8 C9 117.1(5) . .
C11 C7 C8 C9 -117.0(5) . .
C10 C8 C9 C10 0.5(8) . 2_566
C7 C8 C9 C10 -179.3(4) . 2_566
C10 C8 C9 C1 179.8(4) . .
C7 C8 C9 C1 -0.1(5) . .
C2 C1 C9 C10 -2.0(9) . 2_566
C6 C1 C9 C10 178.2(5) . 2_566
C2 C1 C9 C8 178.9(5) . .
C6 C1 C9 C8 -0.9(5) . .
C9 C8 C10 C9 -0.5(8) . 2_566
C7 C8 C10 C9 179.3(5) . 2_566
C6 C7 C11 C12 -16.9(6) . .
C17 C7 C11 C12 -141.4(5) . .
C8 C7 C11 C12 93.4(5) . .
C6 C7 C11 C16 167.6(4) . .
C17 C7 C11 C16 43.0(6) . .
C8 C7 C11 C16 -82.2(5) . .
C16 C11 C12 C13 0.8(7) . .
C7 C11 C12 C13 -174.9(5) . .
C11 C12 C13 C14 0.0(9) . .
C12 C13 C14 C15 -0.9(9) . .
C12 C13 C14 C23 179.4(5) . .
C13 C14 C15 C16 1.0(8) . .
C23 C14 C15 C16 -179.3(5) . .
C14 C15 C16 C11 -0.2(8) . .
C12 C11 C16 C15 -0.7(7) . .
C7 C11 C16 C15 175.1(4) . .
C6 C7 C17 C22 -88.3(6) . .
C11 C7 C17 C22 37.9(7) . .
C8 C7 C17 C22 161.0(5) . .
C6 C7 C17 C18 87.6(6) . .
C11 C7 C17 C18 -146.3(5) . .
C8 C7 C17 C18 -23.1(7) . .
C22 C17 C18 C19 1.5(9) . .
C7 C17 C18 C19 -174.5(6) . .
C17 C18 C19 C20 -1.4(11) . .
C18 C19 C20 C21 0.7(10) . .
C18 C19 C20 C27 -179.2(6) . .
C19 C20 C21 C22 -0.2(9) . .
C27 C20 C21 C22 179.8(6) . .
C20 C21 C22 C17 0.3(10) . .
C18 C17 C22 C21 -1.0(9) . .
C7 C17 C22 C21 175.0(5) . .
C13 C14 C23 C24 78.7(11) . .
C15 C14 C23 C24 -101.0(11) . .
C13 C14 C23 C26' -71(2) . .
C15 C14 C23 C26' 110(2) . .
C13 C14 C23 C26 -43.7(10) . .
C15 C14 C23 C26 136.6(9) . .
C13 C14 C23 C24' 54.3(16) . .
C15 C14 C23 C24' -125.4(15) . .
C13 C14 C23 C25 -156.5(10) . .
C15 C14 C23 C25 23.8(12) . .
C13 C14 C23 C25' 161(2) . .
C15 C14 C23 C25' -19(2) . .
C19 C20 C27 C28' 37(2) . .
C21 C20 C27 C28' -143(2) . .
C19 C20 C27 C29 -123.1(10) . .
C21 C20 C27 C29 57.0(11) . .
C19 C20 C27 C29' -168.6(18) . .
C21 C20 C27 C29' 11.5(19) . .
C19 C20 C27 C28 -10.3(11) . .
C21 C20 C27 C28 169.7(8) . .
C19 C20 C27 C30' 84.2(18) . .
C21 C20 C27 C30' -95.8(17) . .
C19 C20 C27 C30 119.4(11) . .
C21 C20 C27 C30 -60.5(11) . .
C35 C31 C32 C33 -5.7(14) . .
C31 C32 C33 C34 5(2) . 2_656
C31 C32 C33 C35 4.8(12) . .
C35 C31 C34 C33 7.9(19) . 2_656
C35 C31 C34 C35 5(2) . 2_656
C34 C31 C35 C31 -5(2) . 2_656
C32 C31 C35 C31 -178(2) . 2_656
C34 C31 C35 C33 177.2(12) . .
C32 C31 C35 C33 4.6(11) . .
C32 C33 C35 C31 -5.9(14) . .
C34 C33 C35 C31 174.6(19) 2_656 .
C32 C33 C35 C31 177(2) . 2_656
C34 C33 C35 C31 -2.9(13) 2_656 2_656
