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#$Date: 2023-07-06 11:09:28 +0300 (Thu, 06 Jul 2023) $
#$Revision: 285034 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/74/8107437.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_8107437
loop_
_publ_author_name
'Chen, Ren-Song'
'Ye, Jiang-Hai'
'Luo, Yu-Ling'
'Xu, Chuan-Yan'
'Zou, Juan'
'Zhang, Jing-Jie'
_publ_section_title
;
 Crystal structure of
 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole,
 C24H30O7
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              349
_journal_page_last               351
_journal_paper_doi               10.1515/ncrs-2022-0580
_journal_volume                  238
_journal_year                    2023
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C24 H30 O7'
_chemical_formula_sum            'C24 H30 O7'
_chemical_formula_weight         430.48
_chemical_name_systematic
;
1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,
4a,5,6,7,8,13b-decahydrobenzo[3',4']
cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4194(5)
_cell_length_b                   13.4657(6)
_cell_length_c                   14.7549(7)
_cell_measurement_reflns_used    8363
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.46
_cell_measurement_theta_min      2.72
_cell_volume                     2268.86(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0681
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38597
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.088
_diffrn_reflns_theta_min         3.149
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.123
_refine_diff_density_min         -0.133
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details
;
 Flack x determined using 1282 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.4(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         7847
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1295
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0547P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1239
_reflns_Friedel_coverage         0.794
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.984
_reflns_number_gt                4033
_reflns_number_total             7847
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2022-0580_suppl.cif
_cod_data_source_block           A
_cod_database_code               8107437
_shelx_shelxl_version_number     2018/3
_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.
;
_exptl_absorpt_special_details
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71093    4.869    6.795   14.363   90.016   96.594   89.997
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, 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
C1 C 0.49846(19) 0.50795(17) 0.44379(16) 0.0440(5) Uani 1 1 d . . . . .
C2 C 0.3969(2) 0.47133(18) 0.48311(16) 0.0470(5) Uani 1 1 d . . . . .
C3 C 0.4016(2) 0.43315(18) 0.57058(18) 0.0495(6) Uani 1 1 d . . . . .
C4 C 0.5066(2) 0.43383(18) 0.61713(17) 0.0491(6) Uani 1 1 d . . . . .
C5 C 0.6084(2) 0.47338(16) 0.57868(15) 0.0421(5) Uani 1 1 d . . . . .
C6 C 0.71815(19) 0.47068(16) 0.63822(16) 0.0452(5) Uani 1 1 d . . . . .
C7 C 0.8029(2) 0.38308(17) 0.62299(18) 0.0531(6) Uani 1 1 d . . . . .
C8 C 0.8877(2) 0.39572(18) 0.54345(19) 0.0558(6) Uani 1 1 d . . . . .
C9 C 0.8278(2) 0.40561(18) 0.44972(18) 0.0557(6) Uani 1 1 d . . . . .
C10 C 0.8081(2) 0.51212(18) 0.42367(15) 0.0475(6) Uani 1 1 d . . . . .
C11 C 0.8994(2) 0.5620(2) 0.38063(17) 0.0541(6) Uani 1 1 d . . . . .
C12 C 0.8862(2) 0.6606(2) 0.36357(17) 0.0547(6) Uani 1 1 d . . . . .
C13 C 0.7856(2) 0.71171(18) 0.38611(16) 0.0499(6) Uani 1 1 d . . . . .
C14 C 0.6935(2) 0.66495(17) 0.42742(16) 0.0438(5) Uani 1 1 d . . . . .
C15 C 0.70480(19) 0.56269(16) 0.44648(15) 0.0421(5) Uani 1 1 d . . . . .
C16 C 0.60472(19) 0.51218(16) 0.49107(15) 0.0411(5) Uani 1 1 d . . . . .
C17 C 0.9797(3) 0.3122(2) 0.5431(3) 0.0876(10) Uani 1 1 d . . . . .
C18 C 0.7365(3) 0.28465(19) 0.6222(2) 0.0700(8) Uani 1 1 d . . . . .
H18 H 0.692865 0.278952 0.566840 0.105 Uiso 1 1 calc R U . . .
C19 C 0.9183(3) 0.8206(2) 0.3393(3) 0.0795(10) Uani 1 1 d . . . . .
H19 H 0.928751 0.862969 0.286689 0.095 Uiso 1 1 calc R U . . .
C20 C 0.4865(3) 0.4698(3) 0.2891(2) 0.0836(10) Uani 1 1 d . . . . .
C21 C 0.2230(3) 0.5536(3) 0.4513(3) 0.1150(15) Uani 1 1 d . . . . .
C22 C 0.2938(3) 0.3690(4) 0.6946(3) 0.1150(16) Uani 1 1 d . . . . .
C23 C 0.7298(3) 0.6428(2) 0.6723(2) 0.0644(8) Uani 1 1 d . . . . .
C24 C 0.5377(3) 0.7780(2) 0.3945(3) 0.0791(9) Uani 1 1 d . . . . .
H2 H 0.311543 0.424855 0.732576 0.173 Uiso 1 1 calc R U . . .
H3 H 0.958921 0.850502 0.390171 0.095 Uiso 1 1 calc R U . . .
H4 H 0.967554 0.528807 0.364034 0.065 Uiso 1 1 calc R U . . .
H5 H 0.589200 0.831735 0.378981 0.119 Uiso 1 1 calc R U . . .
H6 H 0.467880 0.804064 0.421814 0.119 Uiso 1 1 calc R U . . .
H7 H 0.517520 0.741731 0.340718 0.119 Uiso 1 1 calc R U . . .
H8 H 0.509726 0.407404 0.675315 0.059 Uiso 1 1 calc R U . . .
H9 H 0.148062 0.544075 0.423131 0.173 Uiso 1 1 calc R U . . .
H10 H 0.212852 0.561636 0.515421 0.173 Uiso 1 1 calc R U . . .
H11 H 0.259591 0.611849 0.426651 0.173 Uiso 1 1 calc R U . . .
H12 H 0.481537 0.500344 0.230399 0.125 Uiso 1 1 calc R U . . .
H13 H 0.418432 0.429423 0.299058 0.125 Uiso 1 1 calc R U . . .
H14 H 0.555407 0.429084 0.291967 0.125 Uiso 1 1 calc R U . . .
H15 H 0.216849 0.344742 0.708660 0.173 Uiso 1 1 calc R U . . .
H16 H 0.350180 0.317312 0.704978 0.173 Uiso 1 1 calc R U . . .
H17 H 0.701651 0.626038 0.731656 0.097 Uiso 1 1 calc R U . . .
H18A H 0.664987 0.661890 0.634637 0.097 Uiso 1 1 calc R U . . .
H20 H 0.683669 0.282414 0.672802 0.105 Uiso 1 1 calc R U . . .
H22 H 0.791157 0.230705 0.626530 0.105 Uiso 1 1 calc R U . . .
H23A H 0.930183 0.457880 0.553978 0.067 Uiso 1 1 calc R U . . .
H23 H 0.784119 0.696947 0.676637 0.097 Uiso 1 1 calc R U . . .
H24 H 0.942610 0.250396 0.527868 0.131 Uiso 1 1 calc R U . . .
H25 H 1.014689 0.307074 0.602037 0.131 Uiso 1 1 calc R U . . .
H26 H 1.039093 0.326967 0.499069 0.131 Uiso 1 1 calc R U . . .
H27 H 0.753136 0.371310 0.451087 0.067 Uiso 1 1 calc R U . . .
H28 H 0.876347 0.373897 0.404182 0.067 Uiso 1 1 calc R U . . .
H29 H 0.852288 0.380861 0.677260 0.064 Uiso 1 1 calc R U . . .
H30 H 0.690596 0.465121 0.700920 0.054 Uiso 1 1 calc R U . . .
O1 O 0.49263(15) 0.54482(13) 0.35697(12) 0.0564(5) Uani 1 1 d . . . . .
O2 O 0.29393(15) 0.47072(15) 0.43458(13) 0.0631(5) Uani 1 1 d . . . . .
O3 O 0.29794(16) 0.39812(16) 0.60341(14) 0.0739(6) Uani 1 1 d . . . . .
O4 O 0.78631(13) 0.55974(11) 0.63391(11) 0.0473(4) Uani 1 1 d . . . . .
O5 O 0.59518(15) 0.71314(12) 0.45709(12) 0.0551(4) Uani 1 1 d . . . . .
O6 O 0.96374(18) 0.72453(16) 0.32169(15) 0.0736(6) Uani 1 1 d . . . . .
O7 O 0.79642(17) 0.81004(12) 0.35949(14) 0.0651(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 0.0000 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
C1 O1 C20 113.7(2) . .
O1 C1 C2 118.5(2) . .
O1 C1 C16 119.4(2) . .
C2 C1 C16 122.0(2) . .
C2 O2 C21 113.4(2) . .
O2 C2 C1 119.9(2) . .
O2 C2 C3 120.9(2) . .
C1 C2 C3 119.2(2) . .
C3 O3 C22 117.9(2) . .
O3 C3 C4 125.4(2) . .
O3 C3 C2 115.1(2) . .
C4 C3 C2 119.5(2) . .
C3 C4 C5 121.5(2) . .
C3 C4 H8 119.3 . .
C5 C4 H8 119.3 . .
C7 C8 C17 110.7(2) . .
C7 C8 C9 114.5(2) . .
C17 C8 C9 111.2(2) . .
C7 C8 H23A 106.7 . .
C17 C8 H23A 106.7 . .
C9 C8 H23A 106.7 . .
O4 C23 H18A 109.5 . .
O4 C23 H23 109.5 . .
H18A C23 H23 109.5 . .
O4 C23 H17 109.5 . .
H18A C23 H17 109.5 . .
H23 C23 H17 109.5 . .
C16 C5 C4 119.6(2) . .
C16 C5 C6 124.4(2) . .
C4 C5 C6 116.0(2) . .
O4 C6 C5 113.57(18) . .
O4 C6 C7 107.05(17) . .
C5 C6 C7 116.63(19) . .
O4 C6 H30 106.3 . .
C5 C6 H30 106.3 . .
C7 C6 H30 106.3 . .
C18 C7 C8 113.9(2) . .
C18 C7 C6 110.7(2) . .
C8 C7 C6 115.1(2) . .
C18 C7 H29 105.4 . .
C8 C7 H29 105.4 . .
C6 C7 H29 105.4 . .
C5 C16 C1 118.2(2) . .
C5 C16 C15 124.0(2) . .
C1 C16 C15 117.71(19) . .
C10 C15 C14 120.2(2) . .
C10 C15 C16 122.1(2) . .
C14 C15 C16 117.7(2) . .
C10 C9 C8 112.1(2) . .
C10 C9 H28 109.2 . .
C8 C9 H28 109.2 . .
C10 C9 H27 109.2 . .
C8 C9 H27 109.2 . .
H28 C9 H27 107.9 . .
C11 C10 C15 120.3(2) . .
C11 C10 C9 117.7(2) . .
C15 C10 C9 121.9(2) . .
C12 C11 C10 118.1(2) . .
C12 C11 H4 120.9 . .
C10 C11 H4 120.9 . .
C23 O4 C6 113.43(18) . .
C14 C13 C12 121.2(2) . .
C14 C13 O7 129.3(2) . .
C12 C13 O7 109.5(2) . .
O2 C21 H10 109.5 . .
O2 C21 H9 109.5 . .
H10 C21 H9 109.5 . .
O2 C21 H11 109.5 . .
H10 C21 H11 109.5 . .
H9 C21 H11 109.5 . .
C8 C17 H24 109.5 . .
C8 C17 H25 109.5 . .
H24 C17 H25 109.5 . .
C8 C17 H26 109.5 . .
H24 C17 H26 109.5 . .
H25 C17 H26 109.5 . .
O5 C24 H5 109.5 . .
O5 C24 H6 109.5 . .
H5 C24 H6 109.5 . .
O5 C24 H7 109.5 . .
H5 C24 H7 109.5 . .
H6 C24 H7 109.5 . .
C13 O7 C19 103.9(2) . .
C12 O6 C19 104.6(2) . .
C14 O5 C24 117.3(2) . .
O5 C14 C13 123.7(2) . .
O5 C14 C15 118.3(2) . .
C13 C14 C15 117.9(2) . .
C11 C12 C13 122.4(2) . .
C11 C12 O6 128.3(3) . .
C13 C12 O6 109.4(2) . .
O6 C19 O7 107.6(2) . .
O6 C19 H19 110.2 . .
O7 C19 H19 110.2 . .
O6 C19 H3 110.2 . .
O7 C19 H3 110.2 . .
H19 C19 H3 108.5 . .
C7 C18 H18 109.5 . .
C7 C18 H20 109.5 . .
H18 C18 H20 109.5 . .
C7 C18 H22 109.5 . .
H18 C18 H22 109.5 . .
H20 C18 H22 109.5 . .
O3 C22 H16 109.5 . .
O3 C22 H15 109.5 . .
H16 C22 H15 109.5 . .
O3 C22 H2 109.5 . .
H16 C22 H2 109.5 . .
H15 C22 H2 109.5 . .
O1 C20 H14 109.5 . .
O1 C20 H12 109.5 . .
H14 C20 H12 109.5 . .
O1 C20 H13 109.5 . .
H14 C20 H13 109.5 . .
H12 C20 H13 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C1 1.375(3) .
O1 C20 1.425(4) .
C1 C2 1.387(3) .
C1 C16 1.401(3) .
O2 C2 1.377(3) .
O2 C21 1.400(4) .
C2 C3 1.390(3) .
O3 C3 1.363(3) .
O3 C22 1.402(4) .
C3 C4 1.383(4) .
C4 C5 1.398(3) .
C4 H8 0.9300 .
C8 C7 1.531(4) .
C8 C17 1.539(3) .
C8 C9 1.548(4) .
C8 H23A 0.9800 .
C23 O4 1.410(3) .
C23 H18A 0.9600 .
C23 H23 0.9600 .
C23 H17 0.9600 .
C5 C16 1.395(3) .
C5 C6 1.531(3) .
C6 O4 1.431(3) .
C6 C7 1.542(3) .
C6 H30 0.9800 .
C7 C18 1.527(4) .
C7 H29 0.9800 .
C16 C15 1.484(3) .
C15 C10 1.404(3) .
C15 C14 1.411(3) .
C9 C10 1.502(4) .
C9 H28 0.9700 .
C9 H27 0.9700 .
C10 C11 1.393(3) .
C11 C12 1.360(4) .
C11 H4 0.9300 .
C13 C14 1.369(3) .
C13 C12 1.379(4) .
C13 O7 1.387(3) .
C21 H10 0.9600 .
C21 H9 0.9600 .
C21 H11 0.9600 .
C17 H24 0.9600 .
C17 H25 0.9600 .
C17 H26 0.9600 .
C24 O5 1.430(3) .
C24 H5 0.9600 .
C24 H6 0.9600 .
C24 H7 0.9600 .
O7 C19 1.431(3) .
O6 C12 1.381(3) .
O6 C19 1.418(4) .
O5 C14 1.369(3) .
C19 H19 0.9700 .
C19 H3 0.9700 .
C18 H18 0.9600 .
C18 H20 0.9600 .
C18 H22 0.9600 .
C22 H16 0.9600 .
C22 H15 0.9600 .
C22 H2 0.9600 .
C20 H14 0.9600 .
C20 H12 0.9600 .
C20 H13 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
C20 O1 C1 C2 -76.3(3) . . . .
C20 O1 C1 C16 106.3(3) . . . .
C21 O2 C2 C1 -95.4(3) . . . .
C21 O2 C2 C3 86.3(3) . . . .
O1 C1 C2 O2 1.3(3) . . . .
C16 C1 C2 O2 178.5(2) . . . .
O1 C1 C2 C3 179.5(2) . . . .
C16 C1 C2 C3 -3.2(4) . . . .
C22 O3 C3 C4 6.5(4) . . . .
C22 O3 C3 C2 -173.0(3) . . . .
O2 C2 C3 O3 -1.2(3) . . . .
C1 C2 C3 O3 -179.5(2) . . . .
O2 C2 C3 C4 179.3(2) . . . .
C1 C2 C3 C4 1.0(4) . . . .
O3 C3 C4 C5 -178.6(2) . . . .
C2 C3 C4 C5 0.9(4) . . . .
C3 C4 C5 C16 -0.7(3) . . . .
C3 C4 C5 C6 179.2(2) . . . .
C16 C5 C6 O4 41.7(3) . . . .
C4 C5 C6 O4 -138.2(2) . . . .
C16 C5 C6 C7 -83.5(3) . . . .
C4 C5 C6 C7 96.6(3) . . . .
C17 C8 C7 C18 -59.2(3) . . . .
C9 C8 C7 C18 67.4(3) . . . .
C17 C8 C7 C6 171.5(2) . . . .
C9 C8 C7 C6 -61.9(3) . . . .
O4 C6 C7 C18 -177.4(2) . . . .
C5 C6 C7 C18 -49.0(3) . . . .
O4 C6 C7 C8 -46.6(3) . . . .
C5 C6 C7 C8 81.9(3) . . . .
C4 C5 C16 C1 -1.4(3) . . . .
C6 C5 C16 C1 178.8(2) . . . .
C4 C5 C16 C15 175.2(2) . . . .
C6 C5 C16 C15 -4.7(3) . . . .
O1 C1 C16 C5 -179.4(2) . . . .
C2 C1 C16 C5 3.3(3) . . . .
O1 C1 C16 C15 3.8(3) . . . .
C2 C1 C16 C15 -173.4(2) . . . .
C5 C16 C15 C10 66.3(3) . . . .
C1 C16 C15 C10 -117.1(2) . . . .
C5 C16 C15 C14 -113.5(2) . . . .
C1 C16 C15 C14 63.1(3) . . . .
C7 C8 C9 C10 93.5(3) . . . .
C17 C8 C9 C10 -140.1(2) . . . .
C14 C15 C10 C11 -1.2(3) . . . .
C16 C15 C10 C11 179.1(2) . . . .
C14 C15 C10 C9 174.7(2) . . . .
C16 C15 C10 C9 -5.0(3) . . . .
C8 C9 C10 C11 86.0(3) . . . .
C8 C9 C10 C15 -90.0(3) . . . .
C15 C10 C11 C12 1.4(3) . . . .
C9 C10 C11 C12 -174.6(2) . . . .
C5 C6 O4 C23 67.5(3) . . . .
C7 C6 O4 C23 -162.4(2) . . . .
C14 C13 O7 C19 167.7(3) . . . .
C12 C13 O7 C19 -13.1(3) . . . .
C24 O5 C14 C13 50.5(3) . . . .
C24 O5 C14 C15 -134.5(2) . . . .
C12 C13 C14 O5 175.2(2) . . . .
O7 C13 C14 O5 -5.7(4) . . . .
C12 C13 C14 C15 0.2(3) . . . .
O7 C13 C14 C15 179.3(2) . . . .
C10 C15 C14 O5 -175.0(2) . . . .
C16 C15 C14 O5 4.8(3) . . . .
C10 C15 C14 C13 0.3(3) . . . .
C16 C15 C14 C13 -179.9(2) . . . .
C10 C11 C12 C13 -1.0(4) . . . .
C10 C11 C12 O6 -179.6(2) . . . .
C14 C13 C12 C11 0.2(4) . . . .
O7 C13 C12 C11 -179.1(2) . . . .
C14 C13 C12 O6 179.0(2) . . . .
O7 C13 C12 O6 -0.2(3) . . . .
C19 O6 C12 C11 -167.6(3) . . . .
C19 O6 C12 C13 13.6(3) . . . .
C12 O6 C19 O7 -21.8(3) . . . .
C13 O7 C19 O6 21.6(3) . . . .
