#------------------------------------------------------------------------------
#$Date: 2025-08-19 21:30:04 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301811 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/27/4002751.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_4002751
loop_
_publ_author_name
'Ju, Huajun'
'Wang, Kang'
'Zhang, Jing'
'Geng, Hua'
'Liu, Zitong'
'Zhang, Guanxin'
'Zhao, Yongsheng'
'Zhang, Deqing'
_publ_section_title
;
 1,6- and 2,7-trans-β-Styryl Substituted Pyrenes Exhibiting Both Emissive
 and Semiconducting Properties in the Solid State
;
_journal_issue                   8
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3580
_journal_paper_doi               10.1021/acs.chemmater.7b00056
_journal_volume                  29
_journal_year                    2017
_chemical_formula_moiety         '2(C16 H11)'
_chemical_formula_sum            'C32 H22'
_chemical_formula_weight         406.49
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-10-23
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                93.925(5)
_cell_angle_beta                 109.054(5)
_cell_angle_gamma                97.992(6)
_cell_formula_units_Z            2
_cell_length_a                   9.602(4)
_cell_length_b                   10.452(4)
_cell_length_c                   11.076(5)
_cell_measurement_reflns_used    3592
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4809
_cell_measurement_theta_min      1.9598
_cell_volume                     1032.8(7)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2014)'
_computing_structure_solution
;
'SHELXT (Sheldrick, 2014)'
;
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details
;
scan:
    Number of images: 360
               Slice: -110.0000 - 70.0000
         Image width: 0.5000
            Exp time: 7.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 0.0000
                 XTD: 40.0024
              2theta: -19.9724
scan:
    Number of images: 360
               Slice: -110.0000 - 70.0000
         Image width: 0.5000
            Exp time: 7.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 180.0000
                 XTD: 40.0024
              2theta: -19.9724
scan:
    Number of images: 214
               Slice: -67.0000 - 40.0000
         Image width: 0.5000
            Exp time: 7.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 90.0000
                 XTD: 40.0024
              2theta: -19.9724
;
_diffrn_measurement_device
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0337
_diffrn_orient_matrix_UB_12      -0.1050
_diffrn_orient_matrix_UB_13      -0.0185
_diffrn_orient_matrix_UB_21      0.0508
_diffrn_orient_matrix_UB_22      0.0130
_diffrn_orient_matrix_UB_23      -0.0820
_diffrn_orient_matrix_UB_31      0.0874
_diffrn_orient_matrix_UB_32      -0.0135
_diffrn_orient_matrix_UB_33      0.0381
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12005
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         1.960
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_description       Plate
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4717
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0568
_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)+(0.0665P)²+0.2377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1437
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4085
_reflns_number_total             4717
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm7b00056_si_002.cif
_cod_data_source_block           mx4203
_cod_original_cell_volume        1032.7(7)
_cod_database_code               4002751
_shelxl_version_number           2013-4
_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.
;
_diffrn_number_total             4717
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C13(H13), C14(H14),
 C15(H15), C16(H16), C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A), C6A(H6A), C7A(H7A),
  C8A(H8A), C13A(H13A), C14A(H14A), C15A(H15A), C16A(H16A)
;
_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
C1 C 0.34863(15) 0.80919(14) 0.61576(12) 0.0261(3) Uani 1 1 d .
C2 C 0.38704(16) 0.93783(14) 0.59465(13) 0.0300(3) Uani 1 1 d .
H2 H 0.3577 0.9601 0.5113 0.036 Uiso 1 1 calc R
C3 C 0.46815(17) 1.03202(15) 0.69665(15) 0.0344(3) Uani 1 1 d .
H3 H 0.4930 1.1171 0.6812 0.041 Uiso 1 1 calc R
C4 C 0.51274(17) 1.00085(16) 0.82152(14) 0.0357(4) Uani 1 1 d .
H4 H 0.5666 1.0648 0.8898 0.043 Uiso 1 1 calc R
C5 C 0.47675(16) 0.87413(16) 0.84416(13) 0.0339(3) Uani 1 1 d .
H5 H 0.5071 0.8526 0.9278 0.041 Uiso 1 1 calc R
C6 C 0.39562(15) 0.77924(14) 0.74246(13) 0.0285(3) Uani 1 1 d .
H6 H 0.3720 0.6943 0.7587 0.034 Uiso 1 1 calc R
C7 C 0.26275(16) 0.70445(14) 0.51208(13) 0.0287(3) Uani 1 1 d .
H7 H 0.2537 0.6207 0.5353 0.034 Uiso 1 1 calc R
C8 C 0.19634(15) 0.71641(14) 0.38819(13) 0.0276(3) Uani 1 1 d .
H8 H 0.2061 0.7990 0.3623 0.033 Uiso 1 1 calc R
C9 C 0.10822(15) 0.60658(13) 0.28950(12) 0.0253(3) Uani 1 1 d .
C10 C 0.09362(14) 0.60909(12) 0.15812(12) 0.0227(3) Uani 1 1 d .
C11 C 0.00778(14) 0.50017(12) 0.06616(12) 0.0225(3) Uani 1 1 d .
C12 C -0.06209(15) 0.39074(13) 0.10674(12) 0.0243(3) Uani 1 1 d .
C13 C -0.04494(16) 0.39130(14) 0.23710(13) 0.0294(3) Uani 1 1 d .
H13 H -0.0899 0.3198 0.2646 0.035 Uiso 1 1 calc R
C14 C 0.03778(16) 0.49647(14) 0.32505(13) 0.0293(3) Uani 1 1 d .
H14 H 0.0472 0.4943 0.4111 0.035 Uiso 1 1 calc R
C15 C 0.16425(15) 0.71644(13) 0.11279(13) 0.0274(3) Uani 1 1 d .
H15 H 0.2220 0.7876 0.1712 0.033 Uiso 1 1 calc R
C16 C -0.14860(16) 0.28369(13) 0.01304(13) 0.0294(3) Uani 1 1 d .
H16 H -0.1954 0.2122 0.0392 0.035 Uiso 1 1 calc R
C1A C 0.82434(16) 0.83368(13) 0.60690(13) 0.0257(3) Uani 1 1 d .
C2A C 0.96532(16) 0.88472(14) 0.60275(13) 0.0305(3) Uani 1 1 d .
H2A H 0.9903 0.8613 0.5309 0.037 Uiso 1 1 calc R
C3A C 1.06783(17) 0.96945(15) 0.70408(14) 0.0342(3) Uani 1 1 d .
H3A H 1.1608 1.0026 0.6997 0.041 Uiso 1 1 calc R
C4A C 1.03305(18) 1.00518(14) 0.81185(14) 0.0345(4) Uani 1 1 d .
H4A H 1.1027 1.0614 0.8803 0.041 Uiso 1 1 calc R
C5A C 0.89353(18) 0.95664(14) 0.81719(13) 0.0325(3) Uani 1 1 d .
H5A H 0.8692 0.9809 0.8892 0.039 Uiso 1 1 calc R
C6A C 0.79051(16) 0.87229(13) 0.71603(13) 0.0285(3) Uani 1 1 d .
H6A H 0.6971 0.8407 0.7206 0.034 Uiso 1 1 calc R
C7A C 0.71030(16) 0.74413(14) 0.50265(13) 0.0286(3) Uani 1 1 d .
H7A H 0.6184 0.7201 0.5131 0.034 Uiso 1 1 calc R
C8A C 0.72457(16) 0.69373(13) 0.39477(12) 0.0273(3) Uani 1 1 d .
H8A H 0.8172 0.7148 0.3848 0.033 Uiso 1 1 calc R
C9A C 0.60625(15) 0.60732(13) 0.28949(12) 0.0247(3) Uani 1 1 d .
C10A C 0.61252(14) 0.59517(12) 0.16311(12) 0.0229(3) Uani 1 1 d .
C11A C 0.49781(14) 0.50731(12) 0.06394(12) 0.0220(3) Uani 1 1 d .
C12A C 0.37859(15) 0.43425(12) 0.09248(12) 0.0232(3) Uani 1 1 d .
C13A C 0.37390(15) 0.45124(13) 0.21754(13) 0.0259(3) Uani 1 1 d .
H13A H 0.2951 0.4053 0.2366 0.031 Uiso 1 1 calc R
C14A C 0.48480(15) 0.53523(13) 0.31258(13) 0.0270(3) Uani 1 1 d .
H14A H 0.4791 0.5445 0.3948 0.032 Uiso 1 1 calc R
C15A C 0.72800(15) 0.66926(13) 0.12823(13) 0.0261(3) Uani 1 1 d .
H15A H 0.8022 0.7285 0.1906 0.031 Uiso 1 1 calc R
C16A C 0.26815(15) 0.34469(13) -0.00731(13) 0.0257(3) Uani 1 1 d .
H16A H 0.1916 0.2947 0.0115 0.031 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'
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
C2 C1 C7 123.48(13) . .
C6 C1 C2 118.00(13) . .
C6 C1 C7 118.51(13) . .
C1 C2 H2 119.7 . .
C3 C2 C1 120.62(13) . .
C3 C2 H2 119.7 . .
C2 C3 H3 119.7 . .
C2 C3 C4 120.60(14) . .
C4 C3 H3 119.7 . .
C3 C4 H4 120.2 . .
C5 C4 C3 119.61(13) . .
C5 C4 H4 120.2 . .
C4 C5 H5 119.9 . .
C4 C5 C6 120.12(14) . .
C6 C5 H5 119.9 . .
C1 C6 H6 119.5 . .
C5 C6 C1 121.05(14) . .
C5 C6 H6 119.5 . .
C1 C7 H7 116.5 . .
C8 C7 C1 127.06(13) . .
C8 C7 H7 116.5 . .
C7 C8 H8 118.0 . .
C7 C8 C9 124.06(13) . .
C9 C8 H8 118.0 . .
C10 C9 C8 121.53(12) . .
C14 C9 C8 119.96(12) . .
C14 C9 C10 118.51(12) . .
C9 C10 C11 119.51(12) . .
C9 C10 C15 122.60(12) . .
C11 C10 C15 117.88(12) . .
C11 C11 C10 120.64(15) 2_565 .
C12 C11 C10 119.94(12) . .
C12 C11 C11 119.42(14) . 2_565
C11 C12 C16 118.98(12) . .
C13 C12 C11 119.05(12) . .
C13 C12 C16 121.97(12) . .
C12 C13 H13 119.7 . .
C14 C13 C12 120.69(13) . .
C14 C13 H13 119.7 . .
C9 C14 H14 118.9 . .
C13 C14 C9 122.29(13) . .
C13 C14 H14 118.9 . .
C10 C15 H15 119.3 . .
C16 C15 C10 121.40(12) 2_565 .
C16 C15 H15 119.3 2_565 .
C12 C16 H16 119.2 . .
C15 C16 C12 121.67(12) 2_565 .
C15 C16 H16 119.2 2_565 .
C2A C1A C7A 123.65(13) . .
C6A C1A C2A 117.81(13) . .
C6A C1A C7A 118.54(13) . .
C1A C2A H2A 119.6 . .
C3A C2A C1A 120.87(14) . .
C3A C2A H2A 119.6 . .
C2A C3A H3A 119.8 . .
C4A C3A C2A 120.48(14) . .
C4A C3A H3A 119.8 . .
C3A C4A H4A 120.3 . .
C3A C4A C5A 119.48(14) . .
C5A C4A H4A 120.3 . .
C4A C5A H5A 119.9 . .
C6A C5A C4A 120.27(14) . .
C6A C5A H5A 119.9 . .
C1A C6A H6A 119.5 . .
C5A C6A C1A 121.09(14) . .
C5A C6A H6A 119.5 . .
C1A C7A H7A 116.6 . .
C8A C7A C1A 126.80(14) . .
C8A C7A H7A 116.6 . .
C7A C8A H8A 117.2 . .
C7A C8A C9A 125.63(14) . .
C9A C8A H8A 117.2 . .
C10A C9A C8A 120.89(13) . .
C14A C9A C8A 120.46(12) . .
C14A C9A C10A 118.65(12) . .
C9A C10A C11A 119.37(12) . .
C9A C10A C15A 122.95(12) . .
C11A C10A C15A 117.67(12) . .
C11A C11A C10A 120.43(15) 2_665 .
C12A C11A C10A 119.96(12) . .
C12A C11A C11A 119.61(14) . 2_665
C11A C12A C16A 118.76(12) . .
C13A C12A C11A 119.11(12) . .
C13A C12A C16A 122.13(12) . .
C12A C13A H13A 119.7 . .
C14A C13A C12A 120.67(13) . .
C14A C13A H13A 119.7 . .
C9A C14A H14A 118.9 . .
C13A C14A C9A 122.20(13) . .
C13A C14A H14A 118.9 . .
C10A C15A H15A 119.1 . .
C16A C15A C10A 121.77(12) 2_665 .
C16A C15A H15A 119.1 2_665 .
C12A C16A H16A 119.1 . .
C15A C16A C12A 121.71(13) 2_665 .
C15A C16A H16A 119.1 2_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.400(2) .
C1 C6 1.3990(19) .
C1 C7 1.4682(19) .
C2 H2 0.9300 .
C2 C3 1.383(2) .
C3 H3 0.9300 .
C3 C4 1.384(2) .
C4 H4 0.9300 .
C4 C5 1.382(2) .
C5 H5 0.9300 .
C5 C6 1.385(2) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C7 C8 1.334(2) .
C8 H8 0.9300 .
C8 C9 1.4774(18) .
C9 C10 1.4181(19) .
C9 C14 1.3988(19) .
C10 C11 1.4300(18) .
C10 C15 1.4348(19) .
C11 C11 1.424(3) 2_565
C11 C12 1.4193(18) .
C12 C13 1.3983(19) .
C12 C16 1.4278(18) .
C13 H13 0.9300 .
C13 C14 1.3761(19) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C15 C16 1.352(2) 2_565
C16 C15 1.352(2) 2_565
C16 H16 0.9300 .
C1A C2A 1.401(2) .
C1A C6A 1.398(2) .
C1A C7A 1.4663(19) .
C2A H2A 0.9300 .
C2A C3A 1.383(2) .
C3A H3A 0.9300 .
C3A C4A 1.382(2) .
C4A H4A 0.9300 .
C4A C5A 1.387(2) .
C5A H5A 0.9300 .
C5A C6A 1.3820(19) .
C6A H6A 0.9300 .
C7A H7A 0.9300 .
C7A C8A 1.328(2) .
C8A H8A 0.9300 .
C8A C9A 1.4736(18) .
C9A C10A 1.4185(19) .
C9A C14A 1.4034(19) .
C10A C11A 1.4331(18) .
C10A C15A 1.4353(19) .
C11A C11A 1.429(3) 2_665
C11A C12A 1.4212(18) .
C12A C13A 1.4006(19) .
C12A C16A 1.4281(18) .
C13A H13A 0.9300 .
C13A C14A 1.3763(19) .
C14A H14A 0.9300 .
C15A H15A 0.9300 .
C15A C16A 1.3504(19) 2_665
C16A C15A 1.3504(19) 2_665
C16A H16A 0.9300 .
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_4
C1 C2 C3 C4 -0.1(2) . .
C1 C7 C8 C9 -178.37(13) . .
C2 C1 C6 C5 0.5(2) . .
C2 C1 C7 C8 -7.5(2) . .
C2 C3 C4 C5 0.5(2) . .
C3 C4 C5 C6 -0.5(2) . .
C4 C5 C6 C1 0.0(2) . .
C6 C1 C2 C3 -0.4(2) . .
C6 C1 C7 C8 172.87(14) . .
C7 C1 C2 C3 179.97(14) . .
C7 C1 C6 C5 -179.89(13) . .
C7 C8 C9 C10 -152.93(14) . .
C7 C8 C9 C14 26.6(2) . .
C8 C9 C10 C11 179.68(12) . .
C8 C9 C10 C15 0.9(2) . .
C8 C9 C14 C13 -179.67(13) . .
C9 C10 C11 C11 -179.56(14) . 2_565
C9 C10 C11 C12 0.1(2) . .
C9 C10 C15 C16 179.94(14) . 2_565
C10 C9 C14 C13 -0.1(2) . .
C10 C11 C12 C13 -0.3(2) . .
C10 C11 C12 C16 179.32(13) . .
C11 C10 C15 C16 1.1(2) . 2_565
C11 C11 C12 C13 179.33(15) 2_565 .
C11 C11 C12 C16 -1.1(2) 2_565 .
C11 C12 C13 C14 0.3(2) . .
C11 C12 C16 C15 0.7(2) . 2_565
C12 C13 C14 C9 -0.1(2) . .
C13 C12 C16 C15 -179.74(14) . 2_565
C14 C9 C10 C11 0.1(2) . .
C14 C9 C10 C15 -178.67(14) . .
C15 C10 C11 C11 -0.7(2) . 2_565
C15 C10 C11 C12 178.94(12) . .
C16 C12 C13 C14 -179.29(13) . .
C1A C2A C3A C4A 0.2(2) . .
C1A C7A C8A C9A -177.80(13) . .
C2A C1A C6A C5A -0.9(2) . .
C2A C1A C7A C8A 3.6(2) . .
C2A C3A C4A C5A -0.8(2) . .
C3A C4A C5A C6A 0.6(2) . .
C4A C5A C6A C1A 0.3(2) . .
C6A C1A C2A C3A 0.6(2) . .
C6A C1A C7A C8A -177.37(14) . .
C7A C1A C2A C3A 179.64(13) . .
C7A C1A C6A C5A -179.91(13) . .
C7A C8A C9A C10A 157.72(14) . .
C7A C8A C9A C14A -22.3(2) . .
C8A C9A C10A C11A 178.16(11) . .
C8A C9A C10A C15A -3.1(2) . .
C8A C9A C14A C13A -178.47(13) . .
C9A C10A C11A C11A -179.57(14) . 2_665
C9A C10A C11A C12A 0.55(19) . .
C9A C10A C15A C16A 179.63(13) . 2_665
C10A C9A C14A C13A 1.5(2) . .
C10A C11A C12A C13A 1.11(19) . .
C10A C11A C12A C16A -178.23(12) . .
C11A C10A C15A C16A -1.6(2) . 2_665
C11A C11A C12A C13A -178.77(14) 2_665 .
C11A C11A C12A C16A 1.9(2) 2_665 .
C11A C12A C13A C14A -1.5(2) . .
C11A C12A C16A C15A -2.0(2) . 2_665
C12A C13A C14A C9A 0.2(2) . .
C13A C12A C16A C15A 178.72(13) . 2_665
C14A C9A C10A C11A -1.83(19) . .
C14A C9A C10A C15A 176.93(13) . .
C15A C10A C11A C11A 1.6(2) . 2_665
C15A C10A C11A C12A -178.28(12) . .
C16A C12A C13A C14A 177.84(12) . .
loop_
_cod_related_entry_id
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_cod_related_entry_code
1 PubChem 139089388
