#------------------------------------------------------------------------------
#$Date: 2021-07-05 19:56:38 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267092 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/98/1559892.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_1559892
loop_
_publ_author_name
'Hao, Taotao'
'Yang, Yongsheng'
'Liang, Wenting'
'Fan, Chunying'
'Wang, Xin'
'Wu, Wanhua'
'Chen, Xiaochuan'
'Fu, Haiyan'
'Chen, Hua'
'Yang, Cheng'
_publ_section_title
;
 Trace mild acid-catalysed Z → E isomerization of
 norbornene-fused stilbene derivatives: intelligent chiral molecular
 photoswitches with controllable self-recovery.
;
_journal_issue                   7
_journal_name_full               'Chemical science'
_journal_page_first              2614
_journal_page_last               2622
_journal_paper_doi               10.1039/d0sc05213b
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety         'C23 H24 O'
_chemical_formula_sum            'C23 H24 O'
_chemical_formula_weight         316.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2018-10-25
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-08-28 deposited with the CCDC.	2020-12-28 downloaded from the CCDC.
;
_cell_angle_alpha                111.746(7)
_cell_angle_beta                 114.773(7)
_cell_angle_gamma                91.316(5)
_cell_formula_units_Z            2
_cell_length_a                   9.4684(6)
_cell_length_b                   10.1128(6)
_cell_length_c                   11.1589(9)
_cell_measurement_reflns_used    2123
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5090
_cell_measurement_theta_min      3.5540
_cell_volume                     880.77(13)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -2.00   86.00   1.0000    6.6400
omega____ theta____ kappa____ phi______ frames
    -       16.8419   38.0000  -90.0000 88

#__ type_ start__ end____ width___ exp.time_
  2 omega   -7.00   79.00   1.0000    6.6400
omega____ theta____ kappa____ phi______ frames
    -       16.8419   77.0000   30.0000 86

#__ type_ start__ end____ width___ exp.time_
  3 omega  -23.00   86.00   1.0000    6.6400
omega____ theta____ kappa____ phi______ frames
    -       16.8419    0.0000 -150.0000 109

#__ type_ start__ end____ width___ exp.time_
  4 omega  -15.00   18.00   1.0000    6.6400
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -99.0000  -90.0000 33

#__ type_ start__ end____ width___ exp.time_
  5 omega  -42.00    1.00   1.0000    6.6400
omega____ theta____ kappa____ phi______ frames
    -      -14.9669   77.0000  120.0000 43
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0338288000
_diffrn_orient_matrix_UB_12      0.0150916000
_diffrn_orient_matrix_UB_13      -0.0622757000
_diffrn_orient_matrix_UB_21      0.0426874000
_diffrn_orient_matrix_UB_22      0.0732886000
_diffrn_orient_matrix_UB_23      0.0430038000
_diffrn_orient_matrix_UB_31      0.0644867000
_diffrn_orient_matrix_UB_32      -0.0192282000
_diffrn_orient_matrix_UB_33      -0.0146763000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0144
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6849
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.986
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             340
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.202
_refine_diff_density_min         -0.170
_refine_diff_density_rms         0.033
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         3587
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0552P)²+0.1526P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1276
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2636
_reflns_number_total             3587
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc05213b2.cif
_cod_data_source_block           exp_3112
_cod_depositor_comments
;Adding full bibliography for 1559890--1559892.cif.

 Adding full bibliography for 1559890--1559892.cif.
;
_cod_original_cell_volume        880.77(12)
_cod_database_code               1559892
_shelx_shelxl_version_number     2014/7
_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_max   0.983
_shelx_estimated_absorpt_t_min   0.976
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C8(H8), C11(H11), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C16(H16), C18(H18), C19(H19), C21(H21), C22(H22)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C23(H23A,H23B,H23C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
O1 O 0.94285(14) 0.23253(14) 0.29099(15) 0.0608(4) Uani 1 1 d . . . . .
C1 C 0.84063(19) 0.12729(18) 0.28270(18) 0.0454(4) Uani 1 1 d . . . . .
C2 C 0.8844(2) 0.01437(19) 0.32213(19) 0.0513(4) Uani 1 1 d . . . . .
H2 H 0.9902 0.0057 0.3584 0.062 Uiso 1 1 calc R . . . .
C3 C 0.7684(2) -0.08610(18) 0.30686(19) 0.0509(4) Uani 1 1 d . . . . .
H3 H 0.7979 -0.1632 0.3314 0.061 Uiso 1 1 calc R . . . .
C4 C 0.6121(2) -0.07524(17) 0.25683(18) 0.0463(4) Uani 1 1 d . . . . .
H4 H 0.5367 -0.1430 0.2488 0.056 Uiso 1 1 calc R . . . .
C5 C 0.56772(18) 0.03985(16) 0.21792(16) 0.0393(4) Uani 1 1 d . . . . .
C6 C 0.40993(19) 0.07333(16) 0.15196(16) 0.0405(4) Uani 1 1 d . . . . .
C7 C 0.43087(18) 0.19873(17) 0.11263(17) 0.0414(4) Uani 1 1 d . . . . .
H7 H 0.3717 0.1690 0.0075 0.050 Uiso 1 1 calc R . . . .
C8 C 0.3920(2) 0.33959(18) 0.1966(2) 0.0506(4) Uani 1 1 d . . . . .
H8 H 0.2922 0.3254 0.2017 0.061 Uiso 1 1 calc R . . . .
C9 C 0.4054(2) 0.4503(2) 0.1359(2) 0.0623(5) Uani 1 1 d . . . . .
H9A H 0.3602 0.5327 0.1701 0.075 Uiso 1 1 calc R . . . .
H9B H 0.3524 0.4058 0.0305 0.075 Uiso 1 1 calc R . . . .
C10 C 0.5872(2) 0.4969(2) 0.1968(2) 0.0630(5) Uani 1 1 d . . . . .
H10A H 0.6160 0.4764 0.1189 0.076 Uiso 1 1 calc R . . . .
H10B H 0.6247 0.6000 0.2608 0.076 Uiso 1 1 calc R . . . .
C11 C 0.6552(2) 0.40409(18) 0.28029(19) 0.0497(4) Uani 1 1 d . . . . .
H11 H 0.7677 0.4401 0.3521 0.060 Uiso 1 1 calc R . . . .
C12 C 0.61272(18) 0.24515(17) 0.16806(17) 0.0409(4) Uani 1 1 d . . . . .
H12 H 0.6358 0.2385 0.0885 0.049 Uiso 1 1 calc R . . . .
C13 C 0.68184(19) 0.13836(16) 0.22809(16) 0.0397(4) Uani 1 1 d . . . . .
C14 C 0.5408(2) 0.40151(19) 0.3433(2) 0.0571(5) Uani 1 1 d . . . . .
H14A H 0.5413 0.4979 0.4073 0.068 Uiso 1 1 calc R . . . .
H14B H 0.5588 0.3370 0.3921 0.068 Uiso 1 1 calc R . . . .
C15 C 1.1069(2) 0.2405(2) 0.3646(2) 0.0668(5) Uani 1 1 d . . . . .
H15A H 1.1334 0.1537 0.3130 0.100 Uiso 1 1 calc GR . . . .
H15B H 1.1350 0.2494 0.4610 0.100 Uiso 1 1 calc GR . . . .
H15C H 1.1646 0.3238 0.3703 0.100 Uiso 1 1 calc GR . . . .
C16 C 0.26692(19) 0.01030(18) 0.12299(17) 0.0460(4) Uani 1 1 d . . . . .
H16 H 0.1817 0.0393 0.0654 0.055 Uiso 1 1 calc R . . . .
C17 C 0.22214(18) -0.09771(17) 0.16740(18) 0.0432(4) Uani 1 1 d . . . . .
C18 C 0.0913(2) -0.21099(19) 0.07002(19) 0.0520(4) Uani 1 1 d . . . . .
H18 H 0.0366 -0.2228 -0.0258 0.062 Uiso 1 1 calc R . . . .
C19 C 0.0404(2) -0.30673(19) 0.1123(2) 0.0560(5) Uani 1 1 d . . . . .
H19 H -0.0474 -0.3823 0.0440 0.067 Uiso 1 1 calc R . . . .
C20 C 0.1164(2) -0.29331(18) 0.2537(2) 0.0503(4) Uani 1 1 d . . . . .
C21 C 0.2464(2) -0.17972(19) 0.35145(19) 0.0510(4) Uani 1 1 d . . . . .
H21 H 0.3005 -0.1680 0.4473 0.061 Uiso 1 1 calc R . . . .
C22 C 0.2979(2) -0.08337(18) 0.31011(18) 0.0492(4) Uani 1 1 d . . . . .
H22 H 0.3851 -0.0072 0.3789 0.059 Uiso 1 1 calc R . . . .
C23 C 0.0593(3) -0.3975(2) 0.2994(3) 0.0787(6) Uani 1 1 d . . . . .
H23A H 0.1467 -0.4358 0.3478 0.118 Uiso 1 1 calc GR . . . .
H23B H -0.0224 -0.4760 0.2152 0.118 Uiso 1 1 calc GR . . . .
H23C H 0.0172 -0.3472 0.3644 0.118 Uiso 1 1 calc GR . . . .
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
C1 O1 C15 118.02(14) . . ?
O1 C1 C2 124.98(15) . . ?
O1 C1 C13 115.32(14) . . ?
C2 C1 C13 119.69(15) . . ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.18(16) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 118.9 . . ?
C4 C3 C2 122.12(15) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 H4 120.6 . . ?
C3 C4 C5 118.77(15) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 C6 130.96(14) . . ?
C13 C5 C4 119.66(14) . . ?
C13 C5 C6 109.15(13) . . ?
C5 C6 C7 107.79(12) . . ?
C16 C6 C5 130.53(14) . . ?
C16 C6 C7 121.65(14) . . ?
C6 C7 H7 111.1 . . ?
C6 C7 C8 114.55(12) . . ?
C6 C7 C12 106.29(12) . . ?
C8 C7 H7 111.1 . . ?
C8 C7 C12 102.26(13) . . ?
C12 C7 H7 111.1 . . ?
C7 C8 H8 114.5 . . ?
C9 C8 C7 108.09(14) . . ?
C9 C8 H8 114.5 . . ?
C14 C8 C7 101.90(13) . . ?
C14 C8 H8 114.6 . . ?
C14 C8 C9 101.73(14) . . ?
C8 C9 H9A 111.2 . . ?
C8 C9 H9B 111.2 . . ?
C8 C9 C10 102.91(14) . . ?
H9A C9 H9B 109.1 . . ?
C10 C9 H9A 111.2 . . ?
C10 C9 H9B 111.2 . . ?
C9 C10 H10A 111.1 . . ?
C9 C10 H10B 111.1 . . ?
H10A C10 H10B 109.1 . . ?
C11 C10 C9 103.38(14) . . ?
C11 C10 H10A 111.1 . . ?
C11 C10 H10B 111.1 . . ?
C10 C11 H11 114.9 . . ?
C10 C11 C12 107.62(14) . . ?
C12 C11 H11 114.9 . . ?
C14 C11 C10 101.04(15) . . ?
C14 C11 H11 114.9 . . ?
C14 C11 C12 101.97(13) . . ?
C7 C12 H12 111.1 . . ?
C11 C12 C7 103.51(13) . . ?
C11 C12 H12 111.1 . . ?
C13 C12 C7 103.59(12) . . ?
C13 C12 C11 115.75(13) . . ?
C13 C12 H12 111.1 . . ?
C1 C13 C5 120.51(14) . . ?
C1 C13 C12 126.33(14) . . ?
C5 C13 C12 113.07(13) . . ?
C8 C14 H14A 112.8 . . ?
C8 C14 H14B 112.8 . . ?
C11 C14 C8 94.81(13) . . ?
C11 C14 H14A 112.8 . . ?
C11 C14 H14B 112.8 . . ?
H14A C14 H14B 110.2 . . ?
O1 C15 H15A 109.5 . . ?
O1 C15 H15B 109.5 . . ?
O1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C16 H16 114.7 . . ?
C6 C16 C17 130.52(15) . . ?
C17 C16 H16 114.7 . . ?
C18 C17 C16 120.36(15) . . ?
C18 C17 C22 117.03(15) . . ?
C22 C17 C16 122.32(14) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 C17 121.26(16) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.1 . . ?
C18 C19 C20 121.74(16) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 C23 121.44(17) . . ?
C21 C20 C19 117.15(16) . . ?
C21 C20 C23 121.41(17) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 C20 121.49(16) . . ?
C22 C21 H21 119.3 . . ?
C17 C22 H22 119.3 . . ?
C21 C22 C17 121.33(15) . . ?
C21 C22 H22 119.3 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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 C1 1.3722(19) . ?
O1 C15 1.404(2) . ?
C1 C2 1.382(2) . ?
C1 C13 1.391(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.390(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.369(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.401(2) . ?
C5 C6 1.475(2) . ?
C5 C13 1.392(2) . ?
C6 C7 1.521(2) . ?
C6 C16 1.336(2) . ?
C7 H7 0.9800 . ?
C7 C8 1.538(2) . ?
C7 C12 1.557(2) . ?
C8 H8 0.9800 . ?
C8 C9 1.535(2) . ?
C8 C14 1.525(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.547(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.529(2) . ?
C11 H11 0.9800 . ?
C11 C12 1.540(2) . ?
C11 C14 1.523(2) . ?
C12 H12 0.9800 . ?
C12 C13 1.498(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16 0.9300 . ?
C16 C17 1.475(2) . ?
C17 C18 1.383(2) . ?
C17 C22 1.392(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.379(2) . ?
C19 H19 0.9300 . ?
C19 C20 1.382(2) . ?
C20 C21 1.381(2) . ?
C20 C23 1.505(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.378(2) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
O1 C1 C2 C3 -179.33(16) . . . . ?
O1 C1 C13 C5 -178.43(14) . . . . ?
O1 C1 C13 C12 5.1(2) . . . . ?
C1 C2 C3 C4 -1.4(3) . . . . ?
C2 C1 C13 C5 2.4(2) . . . . ?
C2 C1 C13 C12 -174.03(15) . . . . ?
C2 C3 C4 C5 0.9(3) . . . . ?
C3 C4 C5 C6 175.05(15) . . . . ?
C3 C4 C5 C13 1.2(2) . . . . ?
C4 C5 C6 C7 -171.39(16) . . . . ?
C4 C5 C6 C16 6.8(3) . . . . ?
C4 C5 C13 C1 -2.9(2) . . . . ?
C4 C5 C13 C12 173.96(13) . . . . ?
C5 C6 C7 C8 -115.66(15) . . . . ?
C5 C6 C7 C12 -3.53(15) . . . . ?
C5 C6 C16 C17 10.9(3) . . . . ?
C6 C5 C13 C1 -177.96(13) . . . . ?
C6 C5 C13 C12 -1.09(17) . . . . ?
C6 C7 C8 C9 -175.37(14) . . . . ?
C6 C7 C8 C14 77.92(16) . . . . ?
C6 C7 C12 C11 -118.38(13) . . . . ?
C6 C7 C12 C13 2.80(15) . . . . ?
C6 C16 C17 C18 -139.41(18) . . . . ?
C6 C16 C17 C22 46.9(3) . . . . ?
C7 C6 C16 C17 -171.16(15) . . . . ?
C7 C8 C9 C10 -73.22(18) . . . . ?
C7 C8 C14 C11 56.28(14) . . . . ?
C7 C12 C13 C1 175.52(15) . . . . ?
C7 C12 C13 C5 -1.13(17) . . . . ?
C8 C7 C12 C11 2.05(14) . . . . ?
C8 C7 C12 C13 123.22(13) . . . . ?
C8 C9 C10 C11 1.80(19) . . . . ?
C9 C8 C14 C11 -55.30(15) . . . . ?
C9 C10 C11 C12 69.89(18) . . . . ?
C9 C10 C11 C14 -36.59(18) . . . . ?
C10 C11 C12 C7 -72.67(15) . . . . ?
C10 C11 C12 C13 174.74(13) . . . . ?
C10 C11 C14 C8 56.30(15) . . . . ?
C11 C12 C13 C1 -71.9(2) . . . . ?
C11 C12 C13 C5 111.42(16) . . . . ?
C12 C7 C8 C9 70.12(16) . . . . ?
C12 C7 C8 C14 -36.58(14) . . . . ?
C12 C11 C14 C8 -54.59(14) . . . . ?
C13 C1 C2 C3 -0.2(3) . . . . ?
C13 C5 C6 C7 2.92(16) . . . . ?
C13 C5 C6 C16 -178.88(16) . . . . ?
C14 C8 C9 C10 33.60(18) . . . . ?
C14 C11 C12 C7 33.16(15) . . . . ?
C14 C11 C12 C13 -79.43(17) . . . . ?
C15 O1 C1 C2 -10.1(3) . . . . ?
C15 O1 C1 C13 170.75(15) . . . . ?
C16 C6 C7 C8 65.9(2) . . . . ?
C16 C6 C7 C12 178.07(14) . . . . ?
C16 C17 C18 C19 -175.10(16) . . . . ?
C16 C17 C22 C21 175.09(16) . . . . ?
C17 C18 C19 C20 0.6(3) . . . . ?
C18 C17 C22 C21 1.2(2) . . . . ?
C18 C19 C20 C21 -0.2(3) . . . . ?
C18 C19 C20 C23 179.48(18) . . . . ?
C19 C20 C21 C22 0.3(3) . . . . ?
C20 C21 C22 C17 -0.9(3) . . . . ?
C22 C17 C18 C19 -1.1(3) . . . . ?
C23 C20 C21 C22 -179.36(17) . . . . ?
