#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:12:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180381 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/50/7205010.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_7205010
loop_
_publ_author_name
'Barbour, Leonard J.'
'Caira, Mino R.'
'le Roex, Tanya'
'Nassimbeni, Luigi R.'
_publ_section_title
;
 Inclusion compounds with mixed guests: controlled stoichiometries and
 kinetics of enclathration
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              1973
_journal_paper_doi               10.1039/b110987c
_journal_year                    2002
_chemical_formula_moiety         'C34 H36 O2.4(C3 H6 O)'
_chemical_formula_sum            'C46 H60 O6'
_chemical_formula_weight         708.94
_chemical_melting_point          287.0(10)
_chemical_name_common            none
_chemical_name_systematic
; 
trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene.
4(acetone) clathrate 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.5900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9057(2)
_cell_length_b                   26.9049(6)
_cell_length_c                   9.1615(2)
_cell_measurement_reflns_used    3933
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.70
_cell_measurement_theta_min      2.41
_cell_volume                     2080.62(8)
_computing_cell_refinement       'Collect (Nonius, 2000)'
_computing_data_collection       'Collect (Nonius, 2000)'
_computing_data_reduction        'Collect (Nonius, 2000)'
_computing_molecular_graphics
'XSEED, a graphical interface to SHELX (1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'combinaton of phi and omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11359
_diffrn_reflns_theta_full        25.70
_diffrn_reflns_theta_max         25.70
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'clear elongated plates'
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         3911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.917
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.597
_refine_ls_shift/su_mean         0.049
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1382P)²+0.5206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1679
_refine_ls_wR_factor_ref         0.2069
_reflns_number_gt                2328
_reflns_number_total             3911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b110987c.txt
_cod_data_source_block           c:_H.4C
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '286-288' was changed to '287.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7205010
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
O1 O -0.26417(17) 0.95768(6) 0.31034(18) 0.0329(4) Uani 1 1 d . . .
H1 H -0.2320 0.9327 0.3666 0.040 Uiso 1 1 calc R . .
C1 C -0.1549(2) 0.99825(8) 0.3647(3) 0.0262(5) Uani 1 1 d . . .
C2 C -0.1468(3) 1.01184(9) 0.5289(3) 0.0273(5) Uani 1 1 d . . .
C3 C -0.2892(3) 1.02257(9) 0.5562(3) 0.0336(6) Uani 1 1 d . . .
H3 H -0.3861 1.0200 0.4740 0.040 Uiso 1 1 calc R . .
C4 C -0.2919(3) 1.03670(10) 0.6995(3) 0.0378(6) Uani 1 1 d . . .
H4 H -0.3898 1.0441 0.7155 0.045 Uiso 1 1 calc R . .
C5 C -0.1518(3) 1.04008(10) 0.8203(3) 0.0388(6) Uani 1 1 d . . .
H5 H -0.1528 1.0498 0.9197 0.047 Uiso 1 1 calc R . .
C6 C -0.0109(3) 1.02932(9) 0.7957(3) 0.0341(6) Uani 1 1 d . . .
H6 H 0.0850 1.0316 0.8792 0.041 Uiso 1 1 calc R . .
C7 C -0.0052(2) 1.01505(8) 0.6501(2) 0.0265(5) Uani 1 1 d . . .
C11 C -0.2220(2) 1.04268(8) 0.2594(3) 0.0250(5) Uani 1 1 d . . .
C12 C -0.3664(3) 1.04132(9) 0.1424(3) 0.0284(6) Uani 1 1 d . . .
H12 H -0.4294 1.0121 0.1264 0.034 Uiso 1 1 calc R . .
C13 C -0.4195(3) 1.08261(9) 0.0482(3) 0.0305(6) Uani 1 1 d . . .
H13 H -0.5181 1.0807 -0.0320 0.037 Uiso 1 1 calc R . .
C14 C -0.3326(3) 1.12656(9) 0.0681(3) 0.0294(6) Uani 1 1 d . . .
C15 C -0.1885(3) 1.12701(9) 0.1865(3) 0.0360(6) Uani 1 1 d . . .
H15 H -0.1255 1.1562 0.2040 0.043 Uiso 1 1 calc R . .
C16 C -0.1348(3) 1.08593(9) 0.2795(3) 0.0345(6) Uani 1 1 d . . .
H16 H -0.0356 1.0876 0.3589 0.041 Uiso 1 1 calc R . .
C17 C -0.3876(3) 1.17177(9) -0.0347(3) 0.0393(7) Uani 1 1 d . . .
C18 C -0.4128(17) 1.1581(4) -0.2099(12) 0.068(3) Uani 0.29 1 d P . .
C19 C -0.5527(6) 1.16663(17) -0.1439(6) 0.0598(13) Uani 0.71 1 d P . .
C20 C -0.5675(18) 1.1871(7) -0.042(2) 0.107(6) Uani 0.29 1 d P . .
C21 C -0.3760(6) 1.21834(15) 0.0672(5) 0.0566(12) Uani 0.71 1 d P . .
C22 C -0.2749(16) 1.2176(4) -0.0001(17) 0.080(4) Uani 0.29 1 d P . .
C23 C -0.2709(6) 1.17791(18) -0.1290(5) 0.0601(12) Uani 0.71 1 d P . .
O24 O -0.1735(2) 0.86404(7) 0.4590(2) 0.0475(5) Uani 1 1 d . . .
C25 C -0.0970(3) 0.82928(11) 0.4373(3) 0.0477(7) Uani 1 1 d . . .
C26 C 0.0082(5) 0.83479(16) 0.3428(6) 0.0976(14) Uani 1 1 d . . .
H26A H 0.0044 0.8692 0.3068 0.146 Uiso 1 1 calc R . .
H26B H -0.0268 0.8124 0.2540 0.146 Uiso 1 1 calc R . .
H26C H 0.1169 0.8264 0.4048 0.146 Uiso 1 1 calc R . .
C27 C -0.1021(5) 0.77951(11) 0.5080(4) 0.0728(10) Uani 1 1 d . . .
H27A H -0.1604 0.7821 0.5820 0.109 Uiso 1 1 calc R . .
H27B H 0.0062 0.7682 0.5611 0.109 Uiso 1 1 calc R . .
H27C H -0.1553 0.7557 0.4272 0.109 Uiso 1 1 calc R . .
O28 O -0.7268(5) 1.18454(12) 0.2216(4) 0.1377(15) Uani 1 1 d . . .
C29 C -0.6803(5) 1.14322(14) 0.2599(4) 0.0691(10) Uani 1 1 d . . .
C30 C -0.7681(4) 1.09839(16) 0.1829(5) 0.0850(12) Uani 1 1 d . . .
H30A H -0.8624 1.1086 0.0991 0.127 Uiso 1 1 calc R . .
H30B H -0.8002 1.0787 0.2579 0.127 Uiso 1 1 calc R . .
H30C H -0.6995 1.0783 0.1411 0.127 Uiso 1 1 calc R . .
C31 C -0.5328(5) 1.13502(15) 0.3863(5) 0.0798(11) Uani 1 1 d . . .
H31A H -0.4518 1.1220 0.3449 0.120 Uiso 1 1 calc R . .
H31B H -0.5515 1.1110 0.4590 0.120 Uiso 1 1 calc R . .
H31C H -0.4965 1.1665 0.4394 0.120 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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
O1 C1 C7 109.92(18) . 3_576 ?
O1 C1 C11 106.74(17) . . ?
C7 C1 C11 108.47(18) 3_576 . ?
O1 C1 C2 109.65(17) . . ?
C7 C1 C2 113.19(18) 3_576 . ?
C11 C1 C2 108.65(18) . . ?
C7 C2 C3 119.2(2) . . ?
C7 C2 C1 123.12(19) . . ?
C3 C2 C1 117.7(2) . . ?
C4 C3 C2 121.4(2) . . ?
C3 C4 C5 119.8(2) . . ?
C6 C5 C4 119.6(2) . . ?
C5 C6 C7 121.6(2) . . ?
C2 C7 C6 118.5(2) . . ?
C2 C7 C1 123.5(2) . 3_576 ?
C6 C7 C1 117.93(19) . 3_576 ?
C16 C11 C12 118.0(2) . . ?
C16 C11 C1 118.96(19) . . ?
C12 C11 C1 123.0(2) . . ?
C11 C12 C13 120.3(2) . . ?
C14 C13 C12 122.1(2) . . ?
C15 C14 C13 116.4(2) . . ?
C15 C14 C17 120.7(2) . . ?
C13 C14 C17 122.8(2) . . ?
C16 C15 C14 121.7(2) . . ?
C11 C16 C15 121.5(2) . . ?
C19 C17 C14 113.2(2) . . ?
C19 C17 C22 129.9(5) . . ?
C14 C17 C22 116.6(5) . . ?
C19 C17 C21 109.9(3) . . ?
C14 C17 C21 109.1(2) . . ?
C22 C17 C21 47.2(6) . . ?
C19 C17 C23 109.1(3) . . ?
C14 C17 C23 106.7(2) . . ?
C22 C17 C23 61.8(7) . . ?
C21 C17 C23 108.7(3) . . ?
C19 C17 C18 60.8(6) . . ?
C14 C17 C18 110.7(5) . . ?
C22 C17 C18 105.2(8) . . ?
C21 C17 C18 139.2(5) . . ?
C23 C17 C18 50.9(5) . . ?
C19 C17 C20 41.9(7) . . ?
C14 C17 C20 110.2(5) . . ?
C22 C17 C20 111.6(10) . . ?
C21 C17 C20 72.3(9) . . ?
C23 C17 C20 140.3(5) . . ?
C18 C17 C20 101.3(9) . . ?
C23 C18 C19 116.8(8) . . ?
C23 C18 C17 63.3(5) . . ?
C19 C18 C17 56.7(4) . . ?
C20 C19 C17 75.6(9) . . ?
C20 C19 C18 135.1(11) . . ?
C17 C19 C18 62.5(5) . . ?
C19 C20 C17 62.5(5) . . ?
C19 C20 C21 109.5(9) . . ?
C17 C20 C21 51.7(5) . . ?
C22 C21 C17 66.8(6) . . ?
C22 C21 C20 114.0(8) . . ?
C17 C21 C20 56.1(5) . . ?
C21 C22 C17 65.9(6) . . ?
C21 C22 C23 124.6(8) . . ?
C17 C22 C23 59.1(5) . . ?
C18 C23 C17 65.8(5) . . ?
C18 C23 C22 115.4(8) . . ?
C17 C23 C22 59.1(5) . . ?
O24 C25 C26 121.1(3) . . ?
O24 C25 C27 121.7(3) . . ?
C26 C25 C27 117.2(3) . . ?
O28 C29 C31 120.7(4) . . ?
O28 C29 C30 122.2(4) . . ?
C31 C29 C30 117.1(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
O1 C1 1.441(3) . ?
C1 C7 1.517(3) 3_576 ?
C1 C11 1.533(3) . ?
C1 C2 1.527(3) . ?
C2 C7 1.392(3) . ?
C2 C3 1.399(3) . ?
C3 C4 1.374(4) . ?
C4 C5 1.382(4) . ?
C5 C6 1.375(3) . ?
C6 C7 1.405(3) . ?
C7 C1 1.517(3) 3_576 ?
C11 C16 1.378(3) . ?
C11 C12 1.387(3) . ?
C12 C13 1.394(3) . ?
C13 C14 1.393(3) . ?
C14 C15 1.391(3) . ?
C14 C17 1.521(3) . ?
C15 C16 1.384(3) . ?
C17 C19 1.498(5) . ?
C17 C22 1.556(11) . ?
C17 C21 1.546(5) . ?
C17 C23 1.557(5) . ?
C17 C18 1.591(11) . ?
C17 C20 1.636(11) . ?
C18 C23 1.354(14) . ?
C18 C19 1.566(14) . ?
C19 C20 1.129(18) . ?
C20 C21 1.88(2) . ?
C21 C22 1.243(16) . ?
C22 C23 1.600(17) . ?
O24 C25 1.211(3) . ?
C25 C26 1.471(5) . ?
C25 C27 1.494(4) . ?
O28 C29 1.199(4) . ?
C29 C31 1.465(5) . ?
C29 C30 1.487(5) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O24 0.84 2.03 2.855(2) 167.5 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C7 127.4(2) . . . . ?
C7 C1 C2 C7 4.3(3) 3_576 . . . ?
C11 C1 C2 C7 -116.3(2) . . . . ?
O1 C1 C2 C3 -54.1(3) . . . . ?
C7 C1 C2 C3 -177.2(2) 3_576 . . . ?
C11 C1 C2 C3 62.2(3) . . . . ?
C7 C2 C3 C4 0.7(4) . . . . ?
C1 C2 C3 C4 -177.8(2) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C3 C4 C5 C6 0.1(4) . . . . ?
C4 C5 C6 C7 0.2(4) . . . . ?
C3 C2 C7 C6 -0.4(3) . . . . ?
C1 C2 C7 C6 178.1(2) . . . . ?
C3 C2 C7 C1 176.8(2) . . . 3_576 ?
C1 C2 C7 C1 -4.7(4) . . . 3_576 ?
C5 C6 C7 C2 -0.1(4) . . . . ?
C5 C6 C7 C1 -177.4(2) . . . 3_576 ?
O1 C1 C11 C16 -175.71(19) . . . . ?
C7 C1 C11 C16 -57.3(3) 3_576 . . . ?
C2 C1 C11 C16 66.1(3) . . . . ?
O1 C1 C11 C12 3.3(3) . . . . ?
C7 C1 C11 C12 121.7(2) 3_576 . . . ?
C2 C1 C11 C12 -114.9(2) . . . . ?
C16 C11 C12 C13 0.4(3) . . . . ?
C1 C11 C12 C13 -178.6(2) . . . . ?
C11 C12 C13 C14 -0.8(3) . . . . ?
C12 C13 C14 C15 0.5(3) . . . . ?
C12 C13 C14 C17 179.2(2) . . . . ?
C13 C14 C15 C16 0.0(3) . . . . ?
C17 C14 C15 C16 -178.7(2) . . . . ?
C12 C11 C16 C15 0.1(4) . . . . ?
C1 C11 C16 C15 179.2(2) . . . . ?
C14 C15 C16 C11 -0.3(4) . . . . ?
C15 C14 C17 C19 -173.5(3) . . . . ?
C13 C14 C17 C19 7.9(4) . . . . ?
C15 C14 C17 C22 0.1(8) . . . . ?
C13 C14 C17 C22 -178.5(8) . . . . ?
C15 C14 C17 C21 -50.9(4) . . . . ?
C13 C14 C17 C21 130.5(3) . . . . ?
C15 C14 C17 C23 66.5(3) . . . . ?
C13 C14 C17 C23 -112.1(3) . . . . ?
C15 C14 C17 C18 120.4(6) . . . . ?
C13 C14 C17 C18 -58.2(6) . . . . ?
C15 C14 C17 C20 -128.4(9) . . . . ?
C13 C14 C17 C20 53.0(9) . . . . ?
C19 C17 C18 C23 159.2(6) . . . . ?
C14 C17 C18 C23 -95.1(5) . . . . ?
C22 C17 C18 C23 31.7(7) . . . . ?
C21 C17 C18 C23 72.1(9) . . . . ?
C20 C17 C18 C23 148.0(7) . . . . ?
C14 C17 C18 C19 105.7(4) . . . . ?
C22 C17 C18 C19 -127.5(6) . . . . ?
C21 C17 C18 C19 -87.1(8) . . . . ?
C23 C17 C18 C19 -159.2(6) . . . . ?
C20 C17 C18 C19 -11.2(7) . . . . ?
C14 C17 C19 C20 94.9(8) . . . . ?
C22 C17 C19 C20 -77.7(12) . . . . ?
C21 C17 C19 C20 -27.4(9) . . . . ?
C23 C17 C19 C20 -146.5(8) . . . . ?
C18 C17 C19 C20 -163.5(10) . . . . ?
C14 C17 C19 C18 -101.7(5) . . . . ?
C22 C17 C19 C18 85.8(10) . . . . ?
C21 C17 C19 C18 136.1(6) . . . . ?
C23 C17 C19 C18 17.0(5) . . . . ?
C20 C17 C19 C18 163.5(10) . . . . ?
C23 C18 C19 C20 2.1(16) . . . . ?
C17 C18 C19 C20 23.0(12) . . . . ?
C23 C18 C19 C17 -20.8(6) . . . . ?
C18 C19 C20 C17 -20.9(11) . . . . ?
C17 C19 C20 C21 22.2(5) . . . . ?
C18 C19 C20 C21 1.3(15) . . . . ?
C14 C17 C20 C19 -102.6(6) . . . . ?
C22 C17 C20 C19 126.2(9) . . . . ?
C21 C17 C20 C19 153.0(8) . . . . ?
C23 C17 C20 C19 54.8(15) . . . . ?
C18 C17 C20 C19 14.7(9) . . . . ?
C19 C17 C20 C21 -153.0(8) . . . . ?
C14 C17 C20 C21 104.4(4) . . . . ?
C22 C17 C20 C21 -26.7(7) . . . . ?
C23 C17 C20 C21 -98.2(11) . . . . ?
C18 C17 C20 C21 -138.3(5) . . . . ?
C19 C17 C21 C22 -126.4(7) . . . . ?
C14 C17 C21 C22 108.9(6) . . . . ?
C23 C17 C21 C22 -7.2(7) . . . . ?
C18 C17 C21 C22 -58.4(11) . . . . ?
C20 C17 C21 C22 -145.3(8) . . . . ?
C19 C17 C21 C20 18.8(5) . . . . ?
C14 C17 C21 C20 -105.8(5) . . . . ?
C22 C17 C21 C20 145.3(8) . . . . ?
C23 C17 C21 C20 138.1(5) . . . . ?
C18 C17 C21 C20 86.8(10) . . . . ?
C19 C20 C21 C22 9.7(12) . . . . ?
C17 C20 C21 C22 35.0(7) . . . . ?
C19 C20 C21 C17 -25.3(7) . . . . ?
C20 C21 C22 C17 -31.2(6) . . . . ?
C17 C21 C22 C23 8.0(7) . . . . ?
C20 C21 C22 C23 -23.1(13) . . . . ?
C19 C17 C22 C21 80.3(8) . . . . ?
C14 C17 C22 C21 -92.1(6) . . . . ?
C23 C17 C22 C21 172.3(7) . . . . ?
C18 C17 C22 C21 144.8(6) . . . . ?
C20 C17 C22 C21 35.7(9) . . . . ?
C19 C17 C22 C23 -92.0(8) . . . . ?
C14 C17 C22 C23 95.6(5) . . . . ?
C21 C17 C22 C23 -172.3(7) . . . . ?
C18 C17 C22 C23 -27.5(6) . . . . ?
C20 C17 C22 C23 -136.6(7) . . . . ?
C19 C18 C23 C17 19.4(5) . . . . ?
C19 C18 C23 C22 -13.7(11) . . . . ?
C17 C18 C23 C22 -33.1(6) . . . . ?
C19 C17 C23 C18 -19.2(6) . . . . ?
C14 C17 C23 C18 103.4(6) . . . . ?
C22 C17 C23 C18 -144.9(8) . . . . ?
C21 C17 C23 C18 -139.0(6) . . . . ?
C20 C17 C23 C18 -54.4(14) . . . . ?
C19 C17 C23 C22 125.8(6) . . . . ?
C14 C17 C23 C22 -111.7(5) . . . . ?
C21 C17 C23 C22 6.0(6) . . . . ?
C18 C17 C23 C22 144.9(8) . . . . ?
C20 C17 C23 C22 90.5(14) . . . . ?
C21 C22 C23 C18 26.9(13) . . . . ?
C17 C22 C23 C18 35.5(7) . . . . ?
C21 C22 C23 C17 -8.5(8) . . . . ?
