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#$Date: 2025-08-23 00:12:46 +0300 (Sat, 23 Aug 2025) $
#$Revision: 301866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/52/7235201.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_7235201
loop_
_publ_author_name
'Zeyan Zhuang'
'Fan Bu'
'Wenwen Luo'
'Huiren Peng'
'Shuming Chen'
'Rongrong Hu'
'Anjun Qin'
'Zujin Zhao'
'Ben Zhong Tang'
_publ_section_title
;
 Steric, conjugation and electronic impacts on the photoluminescence and
 electroluminescence properties of luminogens based on phosphindole oxide
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1836
_journal_page_last               1842
_journal_paper_doi               10.1039/C6TC05591E
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C30 H27 O P'
_chemical_formula_sum            'C30 H27 O P'
_chemical_formula_weight         434.49
_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
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                92.334(5)
_cell_angle_beta                 92.130(5)
_cell_angle_gamma                104.326(5)
_cell_formula_units_Z            2
_cell_length_a                   8.8585(5)
_cell_length_b                   11.2910(6)
_cell_length_c                   12.4815(8)
_cell_measurement_reflns_used    2500
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5149
_cell_measurement_theta_min      3.2644
_cell_volume                     1207.15(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0431796000
_diffrn_orient_matrix_UB_12      -0.0152266000
_diffrn_orient_matrix_UB_13      -0.0429190000
_diffrn_orient_matrix_UB_21      0.0269608000
_diffrn_orient_matrix_UB_22      -0.0413290000
_diffrn_orient_matrix_UB_23      0.0325367000
_diffrn_orient_matrix_UB_31      -0.0652248000
_diffrn_orient_matrix_UB_32      -0.0476964000
_diffrn_orient_matrix_UB_33      -0.0184883000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7661
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.27
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.133
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79291
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.297
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         4421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0601P)²+0.3541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1232
_refine_ls_wR_factor_ref         0.1374
_reflns_number_gt                3475
_reflns_number_total             4421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2017-5-1836.cif
_cod_data_source_block           150122_dmp
_cod_original_cell_volume        1207.16(12)
_cod_database_code               7235201
_reflns_odcompleteness_completeness 99.57
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
P1 P 0.21299(6) 0.13245(5) 0.29128(4) 0.03797(18) Uani 1 d . . .
O1 O 0.10311(19) 0.01627(14) 0.25263(13) 0.0546(4) Uani 1 d . . .
C1 C 0.1694(2) 0.32530(19) 0.39430(16) 0.0367(5) Uani 1 d . . .
C2 C 0.1292(3) 0.3971(2) 0.47615(17) 0.0484(6) Uani 1 d . . .
H2 H 0.1300 0.4784 0.4659 0.058 Uiso 1 calc . . R
C3 C 0.0877(3) 0.3458(3) 0.57361(19) 0.0576(7) Uani 1 d . . .
H3 H 0.0584 0.3930 0.6280 0.069 Uiso 1 calc . . R
C4 C 0.0892(3) 0.2272(3) 0.59092(19) 0.0591(7) Uani 1 d . . .
H4 H 0.0613 0.1948 0.6568 0.071 Uiso 1 calc . . R
C5 C 0.1318(3) 0.1554(2) 0.51122(18) 0.0489(6) Uani 1 d . . .
H5 H 0.1344 0.0752 0.5233 0.059 Uiso 1 calc . . R
C6 C 0.1708(2) 0.20445(19) 0.41281(16) 0.0381(5) Uani 1 d . . .
C7 C 0.2205(2) 0.26867(18) 0.21589(15) 0.0329(4) Uani 1 d . . .
C8 C 0.2057(2) 0.36214(18) 0.28248(15) 0.0332(4) Uani 1 d . . .
C9 C 0.4116(3) 0.1190(2) 0.30202(19) 0.0459(5) Uani 1 d . . .
C10 C 0.5097(3) 0.1602(3) 0.3911(2) 0.0813(9) Uani 1 d . . .
H10 H 0.4745 0.1975 0.4496 0.098 Uiso 1 calc . . R
C11 C 0.6611(4) 0.1462(5) 0.3940(3) 0.1125(14) Uani 1 d . . .
H11 H 0.7266 0.1735 0.4546 0.135 Uiso 1 calc . . R
C12 C 0.7140(4) 0.0927(4) 0.3082(4) 0.1043(13) Uani 1 d . . .
H12 H 0.8158 0.0841 0.3105 0.125 Uiso 1 calc . . R
C13 C 0.6194(4) 0.0520(3) 0.2200(3) 0.0841(10) Uani 1 d . . .
H13 H 0.6563 0.0157 0.1616 0.101 Uiso 1 calc . . R
C14 C 0.4677(3) 0.0643(2) 0.2164(2) 0.0635(7) Uani 1 d . . .
H14 H 0.4028 0.0355 0.1556 0.076 Uiso 1 calc . . R
C15 C 0.2519(2) 0.26664(18) 0.09923(16) 0.0353(5) Uani 1 d . . .
C16 C 0.4017(2) 0.3192(2) 0.06488(18) 0.0451(5) Uani 1 d . . .
C17 C 0.4293(3) 0.3088(2) -0.0436(2) 0.0587(7) Uani 1 d . . .
H17 H 0.5280 0.3440 -0.0671 0.070 Uiso 1 calc . . R
C18 C 0.3144(3) 0.2478(2) -0.1167(2) 0.0603(7) Uani 1 d . . .
H18 H 0.3350 0.2425 -0.1890 0.072 Uiso 1 calc . . R
C19 C 0.1683(3) 0.1945(2) -0.08283(17) 0.0496(6) Uani 1 d . . .
H19 H 0.0910 0.1525 -0.1327 0.059 Uiso 1 calc . . R
C20 C 0.1342(2) 0.20230(19) 0.02442(16) 0.0380(5) Uani 1 d . . .
C21 C 0.5333(3) 0.3846(3) 0.1411(2) 0.0644(7) Uani 1 d . . .
H21A H 0.5140 0.4602 0.1677 0.097 Uiso 1 calc . . GR
H21B H 0.6291 0.4012 0.1045 0.097 Uiso 1 calc . . GR
H21C H 0.5412 0.3341 0.2002 0.097 Uiso 1 calc . . GR
C22 C -0.0284(3) 0.1417(2) 0.05535(19) 0.0503(6) Uani 1 d . . .
H22A H -0.0240 0.1092 0.1249 0.075 Uiso 1 calc . . GR
H22B H -0.0750 0.0764 0.0035 0.075 Uiso 1 calc . . GR
H22C H -0.0899 0.2007 0.0572 0.075 Uiso 1 calc . . GR
C23 C 0.2189(2) 0.49237(18) 0.25728(15) 0.0349(5) Uani 1 d . . .
C24 C 0.1038(2) 0.5251(2) 0.19309(16) 0.0414(5) Uani 1 d . . .
C25 C 0.1165(3) 0.6480(2) 0.17696(19) 0.0541(6) Uani 1 d . . .
H25 H 0.0416 0.6693 0.1328 0.065 Uiso 1 calc . . R
C26 C 0.2344(3) 0.7382(2) 0.2234(2) 0.0608(7) Uani 1 d . . .
H26 H 0.2386 0.8199 0.2126 0.073 Uiso 1 calc . . R
C27 C 0.3479(3) 0.7069(2) 0.2868(2) 0.0555(6) Uani 1 d . . .
H27 H 0.4294 0.7682 0.3183 0.067 Uiso 1 calc . . R
C28 C 0.3423(3) 0.5847(2) 0.30447(17) 0.0440(5) Uani 1 d . . .
C29 C -0.0349(3) 0.4326(3) 0.1448(2) 0.0690(8) Uani 1 d . . .
H29A H -0.0041 0.3889 0.0853 0.104 Uiso 1 calc . . GR
H29B H -0.1121 0.4731 0.1203 0.104 Uiso 1 calc . . GR
H29C H -0.0777 0.3761 0.1978 0.104 Uiso 1 calc . . GR
C30 C 0.4695(3) 0.5574(3) 0.3753(2) 0.0680(8) Uani 1 d . . .
H30A H 0.4584 0.5830 0.4482 0.102 Uiso 1 calc . . GR
H30B H 0.5693 0.6007 0.3520 0.102 Uiso 1 calc . . GR
H30C H 0.4620 0.4710 0.3708 0.102 Uiso 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'
P P 0.1023 0.0942 '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
O1 P1 C6 117.39(10) . .
O1 P1 C7 118.59(9) . .
O1 P1 C9 112.12(11) . .
C6 P1 C7 92.71(9) . .
C6 P1 C9 108.78(10) . .
C9 P1 C7 105.19(9) . .
C2 C1 C6 119.18(19) . .
C2 C1 C8 126.4(2) . .
C6 C1 C8 114.37(18) . .
C1 C2 H2 120.4 . .
C1 C2 C3 119.1(2) . .
C3 C2 H2 120.4 . .
C2 C3 H3 119.4 . .
C4 C3 C2 121.3(2) . .
C4 C3 H3 119.4 . .
C3 C4 H4 119.8 . .
C3 C4 C5 120.3(2) . .
C5 C4 H4 119.8 . .
C4 C5 H5 120.4 . .
C4 C5 C6 119.2(2) . .
C6 C5 H5 120.4 . .
C1 C6 P1 109.02(14) . .
C5 C6 P1 129.89(18) . .
C5 C6 C1 120.9(2) . .
C8 C7 P1 110.08(14) . .
C8 C7 C15 129.98(18) . .
C15 C7 P1 119.77(14) . .
C7 C8 C1 113.45(18) . .
C7 C8 C23 128.29(18) . .
C23 C8 C1 118.26(17) . .
C10 C9 P1 123.4(2) . .
C10 C9 C14 118.5(2) . .
C14 C9 P1 118.16(19) . .
C9 C10 H10 119.9 . .
C9 C10 C11 120.2(3) . .
C11 C10 H10 119.9 . .
C10 C11 H11 119.9 . .
C12 C11 C10 120.3(4) . .
C12 C11 H11 119.9 . .
C11 C12 H12 119.8 . .
C13 C12 C11 120.3(3) . .
C13 C12 H12 119.8 . .
C12 C13 H13 120.0 . .
C12 C13 C14 120.1(3) . .
C14 C13 H13 120.0 . .
C9 C14 C13 120.7(3) . .
C9 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C16 C15 C7 120.30(18) . .
C16 C15 C20 119.81(19) . .
C20 C15 C7 119.65(17) . .
C15 C16 C21 122.3(2) . .
C17 C16 C15 118.8(2) . .
C17 C16 C21 118.9(2) . .
C16 C17 H17 119.3 . .
C18 C17 C16 121.4(2) . .
C18 C17 H17 119.3 . .
C17 C18 H18 120.1 . .
C17 C18 C19 119.8(2) . .
C19 C18 H18 120.1 . .
C18 C19 H19 119.4 . .
C18 C19 C20 121.2(2) . .
C20 C19 H19 119.4 . .
C15 C20 C22 122.94(18) . .
C19 C20 C15 119.0(2) . .
C19 C20 C22 118.09(19) . .
C16 C21 H21A 109.5 . .
C16 C21 H21B 109.5 . .
C16 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C8 121.06(18) . .
C28 C23 C8 119.66(18) . .
C28 C23 C24 119.12(19) . .
C23 C24 C29 122.1(2) . .
C25 C24 C23 119.0(2) . .
C25 C24 C29 118.8(2) . .
C24 C25 H25 118.8 . .
C26 C25 C24 122.3(2) . .
C26 C25 H25 118.8 . .
C25 C26 H26 120.5 . .
C25 C26 C27 119.1(2) . .
C27 C26 H26 120.5 . .
C26 C27 H27 119.5 . .
C26 C27 C28 121.0(2) . .
C28 C27 H27 119.5 . .
C23 C28 C30 122.4(2) . .
C27 C28 C23 119.4(2) . .
C27 C28 C30 118.1(2) . .
C24 C29 H29A 109.5 . .
C24 C29 H29B 109.5 . .
C24 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O1 1.4774(16) .
P1 C6 1.787(2) .
P1 C7 1.8241(19) .
P1 C9 1.803(2) .
C1 C2 1.389(3) .
C1 C6 1.396(3) .
C1 C8 1.496(3) .
C2 H2 0.9300 .
C2 C3 1.391(3) .
C3 H3 0.9300 .
C3 C4 1.368(4) .
C4 H4 0.9300 .
C4 C5 1.380(4) .
C5 H5 0.9300 .
C5 C6 1.388(3) .
C7 C8 1.352(3) .
C7 C15 1.493(3) .
C8 C23 1.493(3) .
C9 C10 1.377(4) .
C9 C14 1.382(3) .
C10 H10 0.9300 .
C10 C11 1.387(4) .
C11 H11 0.9300 .
C11 C12 1.362(6) .
C12 H12 0.9300 .
C12 C13 1.352(5) .
C13 H13 0.9300 .
C13 C14 1.384(4) .
C14 H14 0.9300 .
C15 C16 1.403(3) .
C15 C20 1.408(3) .
C16 C17 1.391(3) .
C16 C21 1.498(3) .
C17 H17 0.9300 .
C17 C18 1.369(4) .
C18 H18 0.9300 .
C18 C19 1.375(3) .
C19 H19 0.9300 .
C19 C20 1.387(3) .
C20 C22 1.506(3) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.403(3) .
C23 C28 1.402(3) .
C24 C25 1.387(3) .
C24 C29 1.491(3) .
C25 H25 0.9300 .
C25 C26 1.359(4) .
C26 H26 0.9300 .
C26 C27 1.378(4) .
C27 H27 0.9300 .
C27 C28 1.395(3) .
C28 C30 1.506(3) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 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
P1 C7 C8 C1 -6.6(2) . . . .
P1 C7 C8 C23 174.26(16) . . . .
P1 C7 C15 C16 -100.4(2) . . . .
P1 C7 C15 C20 74.0(2) . . . .
P1 C9 C10 C11 179.7(3) . . . .
P1 C9 C14 C13 179.7(2) . . . .
O1 P1 C6 C1 -126.36(15) . . . .
O1 P1 C6 C5 48.7(2) . . . .
O1 P1 C7 C8 128.49(15) . . . .
O1 P1 C7 C15 -55.80(18) . . . .
O1 P1 C9 C10 -132.0(2) . . . .
O1 P1 C9 C14 47.9(2) . . . .
C1 C2 C3 C4 1.5(4) . . . .
C1 C8 C23 C24 -108.3(2) . . . .
C1 C8 C23 C28 67.1(2) . . . .
C2 C1 C6 P1 175.98(16) . . . .
C2 C1 C6 C5 0.4(3) . . . .
C2 C1 C8 C7 -171.6(2) . . . .
C2 C1 C8 C23 7.6(3) . . . .
C2 C3 C4 C5 -0.2(4) . . . .
C3 C4 C5 C6 -1.0(4) . . . .
C4 C5 C6 P1 -173.66(18) . . . .
C4 C5 C6 C1 0.9(3) . . . .
C6 P1 C7 C8 5.10(15) . . . .
C6 P1 C7 C15 -179.19(15) . . . .
C6 P1 C9 C10 -0.5(3) . . . .
C6 P1 C9 C14 179.39(18) . . . .
C6 C1 C2 C3 -1.6(3) . . . .
C6 C1 C8 C7 5.4(2) . . . .
C6 C1 C8 C23 -175.40(17) . . . .
C7 P1 C6 C1 -2.02(15) . . . .
C7 P1 C6 C5 173.0(2) . . . .
C7 P1 C9 C10 97.8(2) . . . .
C7 P1 C9 C14 -82.3(2) . . . .
C7 C8 C23 C24 70.8(3) . . . .
C7 C8 C23 C28 -113.8(2) . . . .
C7 C15 C16 C17 175.9(2) . . . .
C7 C15 C16 C21 -3.2(3) . . . .
C7 C15 C20 C19 -175.83(19) . . . .
C7 C15 C20 C22 4.6(3) . . . .
C8 C1 C2 C3 175.3(2) . . . .
C8 C1 C6 P1 -1.3(2) . . . .
C8 C1 C6 C5 -176.84(18) . . . .
C8 C7 C15 C16 74.4(3) . . . .
C8 C7 C15 C20 -111.3(2) . . . .
C8 C23 C24 C25 176.3(2) . . . .
C8 C23 C24 C29 -1.5(3) . . . .
C8 C23 C28 C27 -175.41(19) . . . .
C8 C23 C28 C30 3.9(3) . . . .
C9 P1 C6 C1 105.02(15) . . . .
C9 P1 C6 C5 -79.9(2) . . . .
C9 P1 C7 C8 -105.20(16) . . . .
C9 P1 C7 C15 70.51(16) . . . .
C9 C10 C11 C12 0.6(6) . . . .
C10 C9 C14 C13 -0.4(4) . . . .
C10 C11 C12 C13 -0.4(6) . . . .
C11 C12 C13 C14 -0.2(6) . . . .
C12 C13 C14 C9 0.6(5) . . . .
C14 C9 C10 C11 -0.2(5) . . . .
C15 C7 C8 C1 178.24(18) . . . .
C15 C7 C8 C23 -0.9(3) . . . .
C15 C16 C17 C18 -0.6(4) . . . .
C16 C15 C20 C19 -1.4(3) . . . .
C16 C15 C20 C22 179.0(2) . . . .
C16 C17 C18 C19 -0.5(4) . . . .
C17 C18 C19 C20 0.7(4) . . . .
C18 C19 C20 C15 0.3(3) . . . .
C18 C19 C20 C22 179.9(2) . . . .
C20 C15 C16 C17 1.6(3) . . . .
C20 C15 C16 C21 -177.6(2) . . . .
C21 C16 C17 C18 178.6(2) . . . .
C23 C24 C25 C26 -1.7(4) . . . .
C24 C23 C28 C27 0.1(3) . . . .
C24 C23 C28 C30 179.4(2) . . . .
C24 C25 C26 C27 1.6(4) . . . .
C25 C26 C27 C28 -0.6(4) . . . .
C26 C27 C28 C23 -0.2(4) . . . .
C26 C27 C28 C30 -179.6(2) . . . .
C28 C23 C24 C25 0.9(3) . . . .
C28 C23 C24 C29 -176.9(2) . . . .
C29 C24 C25 C26 176.1(2) . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168339185
