#------------------------------------------------------------------------------
#$Date: 2021-10-06 19:17:06 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269789 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/82/7158246.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_7158246
loop_
_publ_author_name
'Hoshi, Keita'
'Yasuda, Masashi'
'Nakamura, Takumi'
'Yoshida, Yasushi'
'Ueta, Shoko'
'Minagawa, Keiji'
'Kawamura, Yasuhiko'
'Imada, Yasushi'
'Yagishita, Fumitoshi'
_publ_section_title
;
 Unexpected formation of poly-functionalized fulvenes by the reaction of a
 tetraaryl[5]cumulene with iodine.
;
_journal_issue                   35
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              7594
_journal_page_last               7597
_journal_paper_doi               10.1039/d1ob01270c
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C48 H42 O6'
_chemical_formula_sum            'C48 H42 O6'
_chemical_formula_weight         714.86
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-06-10 deposited with the CCDC.	2021-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.796(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   23.5796(15)
_cell_length_b                   15.5436(10)
_cell_length_c                   11.2836(8)
_cell_measurement_reflns_used    13234
_cell_measurement_temperature    296
_cell_measurement_theta_max      68.40
_cell_measurement_theta_min      3.43
_cell_volume                     4032.9(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2018/2 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_unetI/netI     0.0693
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            13350
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        42.976
_diffrn_reflns_theta_max         42.976
_diffrn_reflns_theta_min         3.432
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512.00
_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.061
_exptl_crystal_size_min          0.059
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.261
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     270
_refine_ls_number_reflns         1456
_refine_ls_number_restraints     413
_refine_ls_R_factor_all          0.1366
_refine_ls_R_factor_gt           0.1266
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1281P)²+33.5875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3261
_refine_ls_wR_factor_ref         0.3326
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1323
_reflns_number_total             1456
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1ob01270c2.cif
_cod_data_source_block           hoshi20200819_2
_cod_depositor_comments
'Adding full bibliography for 7158245--7158249.cif.'
_cod_database_code               7158246
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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
O1 O 0.2716(4) 0.4229(7) 0.4912(9) 0.120(3) Uani 1 1 d D U . . .
O2 O 0.3529(4) 0.9093(5) 0.3697(8) 0.104(3) Uani 1 1 d . U . . .
O3 O 0.2971(4) 0.2019(6) 0.2605(10) 0.128(4) Uani 1 1 d . U . . .
C2 C 0.4581(5) 0.5314(8) 0.2893(10) 0.066(3) Uani 1 1 d . U . . .
C4 C 0.500000 0.3884(11) 0.250000 0.062(4) Uani 1 2 d S TU P . .
C28 C 0.500000 0.4777(11) 0.250000 0.063(4) Uani 1 2 d S TU P . .
C3 C 0.4735(4) 0.6153(8) 0.2788(10) 0.069(3) Uani 1 1 d . U . . .
C17 C 0.4314(5) 0.7055(8) 0.4177(11) 0.075(3) Uani 1 1 d . U . . .
H17 H 0.442086 0.664363 0.478373 0.090 Uiso 1 1 calc R U . . .
C12 C 0.4448(4) 0.6950(7) 0.3024(11) 0.065(3) Uani 1 1 d . U . . .
C6 C 0.4180(5) 0.4512(8) 0.4447(11) 0.079(4) Uani 1 1 d . U . . .
H6 H 0.455335 0.433075 0.481563 0.095 Uiso 1 1 calc R U . . .
C21 C 0.3426(5) 0.3238(8) 0.1800(13) 0.089(4) Uani 1 1 d . U . . .
H21 H 0.307440 0.345977 0.136607 0.107 Uiso 1 1 calc R U . . .
C19 C 0.4468(5) 0.3370(8) 0.2459(11) 0.075(3) Uani 1 1 d . U . . .
C7 C 0.3718(5) 0.4208(8) 0.4889(12) 0.086(4) Uani 1 1 d . U . . .
H7 H 0.377806 0.378824 0.549182 0.103 Uiso 1 1 calc R U . . .
C10 C 0.3548(5) 0.5400(8) 0.3053(12) 0.083(4) Uani 1 1 d . U . . .
H10 H 0.348458 0.581639 0.244602 0.099 Uiso 1 1 calc R U . . .
C24 C 0.4464(5) 0.2642(8) 0.3148(12) 0.083(4) Uani 1 1 d . U . . .
H24 H 0.481281 0.244867 0.362927 0.100 Uiso 1 1 calc R U . . .
C23 C 0.3965(5) 0.2186(8) 0.3153(12) 0.089(4) Uani 1 1 d . U . . .
H23 H 0.397965 0.167995 0.359816 0.107 Uiso 1 1 calc R U . . .
C5 C 0.4112(5) 0.5074(8) 0.3480(10) 0.068(3) Uani 1 1 d . U . . .
C20 C 0.3933(5) 0.3645(8) 0.1768(12) 0.081(4) Uani 1 1 d . U . . .
H20 H 0.392252 0.412229 0.126680 0.098 Uiso 1 1 calc R U . . .
C15 C 0.3832(5) 0.8384(9) 0.3505(13) 0.086(4) Uani 1 1 d . U . . .
C13 C 0.4267(5) 0.7584(8) 0.2151(12) 0.084(4) Uani 1 1 d . U . . .
H13 H 0.435086 0.751506 0.138951 0.101 Uiso 1 1 calc R U . . .
C16 C 0.4013(5) 0.7807(8) 0.4370(12) 0.080(3) Uani 1 1 d . U . . .
H16 H 0.393869 0.790217 0.513520 0.096 Uiso 1 1 calc R U . . .
C14 C 0.3973(5) 0.8300(8) 0.2364(12) 0.086(4) Uani 1 1 d . U . . .
H14 H 0.386843 0.872222 0.177166 0.103 Uiso 1 1 calc R U . . .
C8 C 0.3175(6) 0.4522(10) 0.4445(14) 0.099(4) Uani 1 1 d . U . . .
C9 C 0.3076(6) 0.5109(9) 0.3527(13) 0.102(4) Uani 1 1 d . U . . .
H9 H 0.270247 0.531512 0.321679 0.122 Uiso 1 1 calc R U . . .
C22 C 0.3433(6) 0.2496(9) 0.2476(14) 0.097(4) Uani 1 1 d . U . . .
C25 C 0.2405(6) 0.2380(10) 0.2022(19) 0.166(8) Uani 1 1 d . U . . .
H25A H 0.231047 0.222015 0.117984 0.249 Uiso 1 1 calc R U . . .
H25B H 0.241939 0.299569 0.209029 0.249 Uiso 1 1 calc R U . . .
H25C H 0.211273 0.216117 0.241545 0.249 Uiso 1 1 calc R U . . .
C11 C 0.2637(10) 0.3376(13) 0.524(2) 0.103(8) Uani 0.545(19) 1 d D U P A 1
H11A H 0.291784 0.323558 0.596550 0.155 Uiso 0.545(19) 1 calc R U P A 1
H11B H 0.268770 0.300036 0.459197 0.155 Uiso 0.545(19) 1 calc R U P A 1
H11C H 0.225230 0.330699 0.537258 0.155 Uiso 0.545(19) 1 calc R U P A 1
C26 C 0.3331(11) 0.9158(16) 0.484(2) 0.126(10) Uani 0.59(2) 1 d . U P B 1
H26A H 0.311945 0.864830 0.495497 0.189 Uiso 0.59(2) 1 calc R U P B 1
H26B H 0.308347 0.965139 0.481362 0.189 Uiso 0.59(2) 1 calc R U P B 1
H26C H 0.366223 0.921775 0.550861 0.189 Uiso 0.59(2) 1 calc R U P B 1
C11A C 0.2153(10) 0.457(3) 0.455(3) 0.153(15) Uani 0.455(19) 1 d D U P A 2
H11D H 0.208263 0.496394 0.515884 0.229 Uiso 0.455(19) 1 calc R U P A 2
H11E H 0.187318 0.411413 0.444736 0.229 Uiso 0.455(19) 1 calc R U P A 2
H11F H 0.211783 0.487305 0.379331 0.229 Uiso 0.455(19) 1 calc R U P A 2
C26A C 0.3426(15) 0.980(2) 0.286(3) 0.118(13) Uani 0.41(2) 1 d . U P B 2
H26D H 0.378889 0.998958 0.269677 0.178 Uiso 0.41(2) 1 calc R U P B 2
H26E H 0.325072 1.026658 0.321053 0.178 Uiso 0.41(2) 1 calc R U P B 2
H26F H 0.317052 0.962196 0.211746 0.178 Uiso 0.41(2) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0492 0.0322
;
International Tables for Crystallography
(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
C8 O1 C11 124.9(14) . . ?
C8 O1 C11A 122.3(18) . . ?
C15 O2 C26A 122.4(18) . . ?
C15 O2 C26 118.6(14) . . ?
C22 O3 C25 114.7(11) . . ?
C3 C2 C28 108.3(11) . . ?
C3 C2 C5 121.9(10) . . ?
C28 C2 C5 129.3(11) . . ?
C28 C4 C19 122.6(7) . . ?
C28 C4 C19 122.6(7) . 2_655 ?
C19 C4 C19 114.7(15) . 2_655 ?
C4 C28 C2 125.6(7) . . ?
C4 C28 C2 125.6(7) . 2_655 ?
C2 C28 C2 108.9(14) . 2_655 ?
C2 C3 C12 130.4(10) . . ?
C2 C3 C3 107.2(7) . 2_655 ?
C12 C3 C3 122.1(6) . 2_655 ?
C16 C17 C12 117.4(12) . . ?
C16 C17 H17 121.3 . . ?
C12 C17 H17 121.3 . . ?
C13 C12 C17 118.2(11) . . ?
C13 C12 C3 123.5(11) . . ?
C17 C12 C3 118.1(11) . . ?
C5 C6 C7 122.8(12) . . ?
C5 C6 H6 118.6 . . ?
C7 C6 H6 118.6 . . ?
C20 C21 C22 120.0(13) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C24 C19 C20 116.7(11) . . ?
C24 C19 C4 122.6(11) . . ?
C20 C19 C4 120.6(12) . . ?
C8 C7 C6 119.9(13) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C5 C10 C9 121.3(12) . . ?
C5 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C23 C24 C19 122.7(12) . . ?
C23 C24 H24 118.7 . . ?
C19 C24 H24 118.7 . . ?
C24 C23 C22 119.0(13) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C6 C5 C10 115.8(11) . . ?
C6 C5 C2 123.7(11) . . ?
C10 C5 C2 120.4(11) . . ?
C21 C20 C19 122.3(13) . . ?
C21 C20 H20 118.8 . . ?
C19 C20 H20 118.8 . . ?
C16 C15 O2 121.7(13) . . ?
C16 C15 C14 120.6(13) . . ?
O2 C15 C14 117.6(13) . . ?
C14 C13 C12 122.9(13) . . ?
C14 C13 H13 118.6 . . ?
C12 C13 H13 118.5 . . ?
C15 C16 C17 122.6(13) . . ?
C15 C16 H16 118.7 . . ?
C17 C16 H16 118.7 . . ?
C13 C14 C15 118.1(13) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
C7 C8 C9 120.8(13) . . ?
C7 C8 O1 119.6(14) . . ?
C9 C8 O1 119.6(13) . . ?
C8 C9 C10 119.1(13) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
O3 C22 C21 127.4(13) . . ?
O3 C22 C23 113.4(13) . . ?
C21 C22 C23 119.2(13) . . ?
O3 C25 H25A 109.5 . . ?
O3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C26 H26A 109.5 . . ?
O2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 C11A H11D 109.5 . . ?
O1 C11A H11E 109.5 . . ?
H11D C11A H11E 109.5 . . ?
O1 C11A H11F 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
O2 C26A H26D 109.5 . . ?
O2 C26A H26E 109.5 . . ?
H26D C26A H26E 109.5 . . ?
O2 C26A H26F 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?
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 C8 1.382(15) . ?
O1 C11 1.399(17) . ?
O1 C11A 1.406(19) . ?
O2 C15 1.357(14) . ?
O2 C26A 1.44(3) . ?
O2 C26 1.47(2) . ?
O3 C22 1.351(14) . ?
O3 C25 1.464(16) . ?
C2 C3 1.366(14) . ?
C2 C28 1.437(14) . ?
C2 C5 1.458(15) . ?
C4 C28 1.39(2) . ?
C4 C19 1.479(14) . ?
C4 C19 1.479(14) 2_655 ?
C3 C12 1.464(15) . ?
C3 C3 1.53(2) 2_655 ?
C17 C16 1.410(15) . ?
C17 C12 1.414(15) . ?
C17 H17 0.9300 . ?
C12 C13 1.391(15) . ?
C6 C5 1.378(15) . ?
C6 C7 1.379(15) . ?
C6 H6 0.9300 . ?
C21 C20 1.360(15) . ?
C21 C22 1.381(17) . ?
C21 H21 0.9300 . ?
C19 C24 1.375(16) . ?
C19 C20 1.395(15) . ?
C7 C8 1.357(17) . ?
C7 H7 0.9300 . ?
C10 C5 1.405(15) . ?
C10 C9 1.412(15) . ?
C10 H10 0.9300 . ?
C24 C23 1.374(15) . ?
C24 H24 0.9300 . ?
C23 C22 1.402(17) . ?
C23 H23 0.9300 . ?
C20 H20 0.9300 . ?
C15 C16 1.325(16) . ?
C15 C14 1.404(16) . ?
C13 C14 1.361(15) . ?
C13 H13 0.9300 . ?
C16 H16 0.9300 . ?
C14 H14 0.9300 . ?
C8 C9 1.361(17) . ?
C9 H9 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C11A H11D 0.9600 . ?
C11A H11E 0.9600 . ?
C11A H11F 0.9600 . ?
C26A H26D 0.9600 . ?
C26A H26E 0.9600 . ?
C26A H26F 0.9600 . ?
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
C19 C4 C28 C2 23.8(8) . . . . ?
C19 C4 C28 C2 -156.2(8) 2_655 . . . ?
C19 C4 C28 C2 -156.2(8) . . . 2_655 ?
C19 C4 C28 C2 23.8(8) 2_655 . . 2_655 ?
C3 C2 C28 C4 178.4(6) . . . . ?
C5 C2 C28 C4 7.0(13) . . . . ?
C3 C2 C28 C2 -1.6(6) . . . 2_655 ?
C5 C2 C28 C2 -173.0(13) . . . 2_655 ?
C28 C2 C3 C12 177.6(10) . . . . ?
C5 C2 C3 C12 -10.2(19) . . . . ?
C28 C2 C3 C3 3.8(14) . . . 2_655 ?
C5 C2 C3 C3 176.0(11) . . . 2_655 ?
C16 C17 C12 C13 -1.0(15) . . . . ?
C16 C17 C12 C3 -177.1(9) . . . . ?
C2 C3 C12 C13 -121.8(14) . . . . ?
C3 C3 C12 C13 51.2(18) 2_655 . . . ?
C2 C3 C12 C17 54.1(17) . . . . ?
C3 C3 C12 C17 -132.9(13) 2_655 . . . ?
C28 C4 C19 C24 -138.8(9) . . . . ?
C19 C4 C19 C24 41.2(9) 2_655 . . . ?
C28 C4 C19 C20 36.9(12) . . . . ?
C19 C4 C19 C20 -143.1(12) 2_655 . . . ?
C5 C6 C7 C8 -6.1(19) . . . . ?
C20 C19 C24 C23 1.1(18) . . . . ?
C4 C19 C24 C23 176.9(11) . . . . ?
C19 C24 C23 C22 -3.1(19) . . . . ?
C7 C6 C5 C10 7.1(17) . . . . ?
C7 C6 C5 C2 -171.5(11) . . . . ?
C9 C10 C5 C6 -5.1(17) . . . . ?
C9 C10 C5 C2 173.5(11) . . . . ?
C3 C2 C5 C6 -123.9(13) . . . . ?
C28 C2 C5 C6 46.5(16) . . . . ?
C3 C2 C5 C10 57.6(16) . . . . ?
C28 C2 C5 C10 -132.0(12) . . . . ?
C22 C21 C20 C19 -4.1(19) . . . . ?
C24 C19 C20 C21 2.6(18) . . . . ?
C4 C19 C20 C21 -173.4(10) . . . . ?
C26A O2 C15 C16 167.8(19) . . . . ?
C26 O2 C15 C16 -8(2) . . . . ?
C26A O2 C15 C14 -9(2) . . . . ?
C26 O2 C15 C14 174.7(15) . . . . ?
C17 C12 C13 C14 0.6(17) . . . . ?
C3 C12 C13 C14 176.4(11) . . . . ?
O2 C15 C16 C17 178.1(10) . . . . ?
C14 C15 C16 C17 -4.8(19) . . . . ?
C12 C17 C16 C15 3.2(17) . . . . ?
C12 C13 C14 C15 -2.0(18) . . . . ?
C16 C15 C14 C13 4.1(19) . . . . ?
O2 C15 C14 C13 -178.7(11) . . . . ?
C6 C7 C8 C9 3(2) . . . . ?
C6 C7 C8 O1 -178.5(11) . . . . ?
C11 O1 C8 C7 -39(2) . . . . ?
C11A O1 C8 C7 176(2) . . . . ?
C11 O1 C8 C9 139.4(18) . . . . ?
C11A O1 C8 C9 -6(3) . . . . ?
C7 C8 C9 C10 -1(2) . . . . ?
O1 C8 C9 C10 -179.7(12) . . . . ?
C5 C10 C9 C8 2(2) . . . . ?
C25 O3 C22 C21 -5(2) . . . . ?
C25 O3 C22 C23 173.3(13) . . . . ?
C20 C21 C22 O3 179.9(12) . . . . ?
C20 C21 C22 C23 2(2) . . . . ?
C24 C23 C22 O3 -176.7(11) . . . . ?
C24 C23 C22 C21 2(2) . . . . ?
