#------------------------------------------------------------------------------
#$Date: 2025-08-22 23:12:46 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301866 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/45/7234520.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_7234520
loop_
_publ_author_name
'Shiv Kumar'
'Deepak Kumar'
'Yogesh Patil'
'Satish Patil'
_publ_section_title
;
 Fluoranthene derivatives as blue fluorescent materials for non-doped
 organic light-emitting diodes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              193
_journal_page_last               200
_journal_paper_doi               10.1039/C5TC02926K
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C35 H24'
_chemical_formula_sum            'C35 H24'
_chemical_formula_weight         444.54
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 113.404(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   10.717(5)
_cell_length_b                   21.264(5)
_cell_length_c                   11.420(5)
_cell_measurement_reflns_used    9187
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      3.51
_cell_volume                     2388.3(16)
_computing_cell_refinement       'Oxford Xcalibur'
_computing_data_collection       'Oxford Xcalibur (Mova) diffractometer '
_computing_data_reduction        'Oxford Xcalibur'
_computing_molecular_graphics    ORTEP-III
_computing_publication_material  WinGx1.80.05
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Oxford Xcalibur (Mova) diffractometer '
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19714
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  0.9965
_exptl_absorpt_correction_T_min  0.9896
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.248
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       0.0025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0878
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+5.6480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1669
_refine_ls_wR_factor_ref         0.1753
_reflns_number_gt                3640
_reflns_number_total             4596
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-193.cif
_cod_data_source_block           dpch3m1_2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7234520
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3650(4) 0.16337(18) 0.5367(3) 0.0368(8) Uani 1 1 d . . .
C2 C 0.2425(4) 0.19680(17) 0.5091(3) 0.0357(8) Uani 1 1 d . . .
C3 C 0.2216(4) 0.25190(18) 0.4402(3) 0.0422(9) Uani 1 1 d . . .
H3 H 0.1405 0.2755 0.4205 0.051 Uiso 1 1 calc R . .
C4 C 0.3242(5) 0.2727(2) 0.3990(4) 0.0519(11) Uani 1 1 d . . .
H4 H 0.3101 0.3105 0.3511 0.062 Uiso 1 1 calc R . .
C5 C 0.4429(4) 0.2396(2) 0.4267(4) 0.0538(12) Uani 1 1 d . . .
H5 H 0.5091 0.2550 0.3978 0.065 Uiso 1 1 calc R . .
C6 C 0.4677(4) 0.1831(2) 0.4974(3) 0.0447(10) Uani 1 1 d . . .
C7 C 0.5824(4) 0.1430(2) 0.5312(4) 0.0519(11) Uani 1 1 d . . .
H7 H 0.6553 0.1540 0.5078 0.062 Uiso 1 1 calc R . .
C8 C 0.5892(4) 0.0884(2) 0.5975(4) 0.0520(11) Uani 1 1 d . . .
H8 H 0.6673 0.0625 0.6187 0.062 Uiso 1 1 calc R . .
C9 C 0.4835(4) 0.0690(2) 0.6356(3) 0.0413(9) Uani 1 1 d . . .
H9 H 0.4909 0.0310 0.6816 0.050 Uiso 1 1 calc R . .
C10 C 0.3708(3) 0.10684(18) 0.6041(3) 0.0350(8) Uani 1 1 d . . .
C11 C 0.2400(3) 0.10421(17) 0.6216(3) 0.0312(7) Uani 1 1 d . . .
C12 C 0.1638(3) 0.15901(16) 0.5647(3) 0.0311(7) Uani 1 1 d . . .
C13 C 0.0363(4) 0.16962(16) 0.5669(3) 0.0319(8) Uani 1 1 d . . .
C14 C -0.0129(4) 0.12462(16) 0.6270(3) 0.0330(8) Uani 1 1 d . . .
H14 H -0.0988 0.1315 0.6309 0.040 Uiso 1 1 calc R . .
C15 C 0.0590(3) 0.07000(16) 0.6817(3) 0.0299(7) Uani 1 1 d . . .
C16 C 0.1885(3) 0.05908(16) 0.6805(3) 0.0295(7) Uani 1 1 d . . .
C17 C 0.2679(3) 0.00281(17) 0.7476(3) 0.0318(7) Uani 1 1 d . . .
C18 C 0.3018(5) -0.04565(19) 0.6839(4) 0.0511(11) Uani 1 1 d . . .
H18 H 0.2769 -0.0428 0.5944 0.061 Uiso 1 1 calc R . .
C19 C 0.3715(5) -0.0979(2) 0.7498(4) 0.0641(13) Uani 1 1 d . . .
H19 H 0.3939 -0.1306 0.7048 0.077 Uiso 1 1 calc R . .
C20 C 0.4089(4) -0.1034(2) 0.8798(4) 0.0530(11) Uani 1 1 d . . .
H20 H 0.4560 -0.1396 0.9242 0.064 Uiso 1 1 calc R . .
C21 C 0.3771(4) -0.05577(19) 0.9438(4) 0.0420(9) Uani 1 1 d . . .
H21 H 0.4030 -0.0588 1.0334 0.050 Uiso 1 1 calc R . .
C22 C 0.3071(3) -0.00288(17) 0.8787(3) 0.0340(8) Uani 1 1 d . . .
H22 H 0.2859 0.0298 0.9244 0.041 Uiso 1 1 calc R . .
C23 C -0.0517(4) 0.22435(16) 0.5053(3) 0.0346(8) Uani 1 1 d . . .
C24 C -0.1357(6) 0.2234(2) 0.3762(4) 0.0731(16) Uani 1 1 d . . .
H24 H -0.1323 0.1884 0.3257 0.088 Uiso 1 1 calc R . .
C25 C -0.2242(6) 0.2725(2) 0.3200(4) 0.0779(17) Uani 1 1 d . . .
H25 H -0.2808 0.2709 0.2315 0.094 Uiso 1 1 calc R . .
C26 C -0.2304(4) 0.32294(19) 0.3908(4) 0.0473(10) Uani 1 1 d . . .
H26 H -0.2918 0.3564 0.3522 0.057 Uiso 1 1 calc R . .
C27 C -0.1481(5) 0.3252(2) 0.5175(4) 0.0624(13) Uani 1 1 d . . .
H27 H -0.1509 0.3607 0.5670 0.075 Uiso 1 1 calc R . .
C28 C -0.0600(5) 0.2758(2) 0.5745(4) 0.0562(12) Uani 1 1 d . . .
H28 H -0.0045 0.2776 0.6632 0.067 Uiso 1 1 calc R . .
C29 C -0.0117(3) 0.02291(16) 0.7315(3) 0.0307(7) Uani 1 1 d . . .
C30 C -0.0658(4) 0.04093(18) 0.8198(3) 0.0364(8) Uani 1 1 d . . .
H30 H -0.0521 0.0826 0.8523 0.044 Uiso 1 1 calc R . .
C31 C -0.1390(4) -0.00120(18) 0.8602(4) 0.0397(9) Uani 1 1 d . . .
H31 H -0.1749 0.0121 0.9199 0.048 Uiso 1 1 calc R . .
C32 C -0.1606(4) -0.06211(19) 0.8150(3) 0.0433(9) Uani 1 1 d . . .
C33 C -0.1075(4) -0.08007(19) 0.7276(3) 0.0436(9) Uani 1 1 d . . .
H33 H -0.1223 -0.1217 0.6949 0.052 Uiso 1 1 calc R . .
C34 C -0.0330(4) -0.03855(17) 0.6866(3) 0.0388(8) Uani 1 1 d . . .
H34 H 0.0035 -0.0523 0.6276 0.047 Uiso 1 1 calc R . .
C35 C -0.2404(5) -0.1082(2) 0.8594(4) 0.0641(13) Uani 1 1 d . . .
H35A H -0.3271 -0.0892 0.8501 0.096 Uiso 1 1 calc R . .
H35B H -0.1879 -0.1188 0.9492 0.096 Uiso 1 1 calc R . .
H35C H -0.2579 -0.1465 0.8076 0.096 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
C6 C1 C2 123.6(4) . .
C6 C1 C10 123.8(4) . .
C2 C1 C10 112.6(3) . .
C3 C2 C1 118.7(3) . .
C3 C2 C12 135.7(4) . .
C1 C2 C12 105.6(3) . .
C2 C3 C4 118.7(4) . .
C2 C3 H3 120.7 . .
C4 C3 H3 120.7 . .
C5 C4 C3 121.9(4) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 120.8(4) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C1 C6 C5 116.3(4) . .
C1 C6 C7 115.9(4) . .
C5 C6 C7 127.8(4) . .
C8 C7 C6 120.6(4) . .
C8 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
C7 C8 C9 122.6(4) . .
C7 C8 H8 118.7 . .
C9 C8 H8 118.7 . .
C10 C9 C8 118.2(4) . .
C10 C9 H9 120.9 . .
C8 C9 H9 120.9 . .
C9 C10 C1 118.9(3) . .
C9 C10 C11 135.8(4) . .
C1 C10 C11 105.3(3) . .
C16 C11 C12 121.0(3) . .
C16 C11 C10 131.1(3) . .
C12 C11 C10 107.9(3) . .
C13 C12 C11 120.8(3) . .
C13 C12 C2 130.5(3) . .
C11 C12 C2 108.6(3) . .
C12 C13 C14 117.5(3) . .
C12 C13 C23 124.0(3) . .
C14 C13 C23 118.5(3) . .
C15 C14 C13 122.7(3) . .
C15 C14 H14 118.6 . .
C13 C14 H14 118.6 . .
C14 C15 C16 120.1(3) . .
C14 C15 C29 117.0(3) . .
C16 C15 C29 122.7(3) . .
C11 C16 C15 117.8(3) . .
C11 C16 C17 122.8(3) . .
C15 C16 C17 119.3(3) . .
C22 C17 C18 118.0(3) . .
C22 C17 C16 119.3(3) . .
C18 C17 C16 122.7(3) . .
C19 C18 C17 120.5(4) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C20 C19 C18 121.1(4) . .
C20 C19 H19 119.4 . .
C18 C19 H19 119.4 . .
C21 C20 C19 118.9(4) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
C20 C21 C22 120.5(4) . .
C20 C21 H21 119.7 . .
C22 C21 H21 119.7 . .
C17 C22 C21 120.9(3) . .
C17 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C28 C23 C24 117.4(4) . .
C28 C23 C13 121.6(3) . .
C24 C23 C13 120.8(3) . .
C25 C24 C23 121.1(4) . .
C25 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
C26 C25 C24 120.3(4) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C25 C26 C27 119.6(4) . .
C25 C26 H26 120.2 . .
C27 C26 H26 120.2 . .
C26 C27 C28 120.2(4) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C23 C28 C27 121.3(4) . .
C23 C28 H28 119.3 . .
C27 C28 H28 119.3 . .
C34 C29 C30 117.9(3) . .
C34 C29 C15 121.5(3) . .
C30 C29 C15 120.4(3) . .
C31 C30 C29 120.9(3) . .
C31 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C32 C31 C30 121.0(4) . .
C32 C31 H31 119.5 . .
C30 C31 H31 119.5 . .
C31 C32 C33 118.2(3) . .
C31 C32 C35 121.0(4) . .
C33 C32 C35 120.7(4) . .
C32 C33 C34 121.5(4) . .
C32 C33 H33 119.2 . .
C34 C33 H33 119.2 . .
C29 C34 C33 120.4(3) . .
C29 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.407(5) .
C1 C2 1.414(5) .
C1 C10 1.416(5) .
C2 C3 1.379(5) .
C2 C12 1.478(5) .
C3 C4 1.427(5) .
C3 H3 0.9500 .
C4 C5 1.377(6) .
C4 H4 0.9500 .
C5 C6 1.414(6) .
C5 H5 0.9500 .
C6 C7 1.419(6) .
C7 C8 1.371(6) .
C7 H7 0.9500 .
C8 C9 1.426(5) .
C8 H8 0.9500 .
C9 C10 1.375(5) .
C9 H9 0.9500 .
C10 C11 1.493(5) .
C11 C16 1.405(5) .
C11 C12 1.423(5) .
C12 C13 1.396(5) .
C13 C14 1.397(5) .
C13 C23 1.487(5) .
C14 C15 1.396(5) .
C14 H14 0.9500 .
C15 C16 1.413(5) .
C15 C29 1.497(5) .
C16 C17 1.491(5) .
C17 C22 1.390(5) .
C17 C18 1.391(5) .
C18 C19 1.383(6) .
C18 H18 0.9500 .
C19 C20 1.381(6) .
C19 H19 0.9500 .
C20 C21 1.368(6) .
C20 H20 0.9500 .
C21 C22 1.392(5) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C28 1.373(5) .
C23 C24 1.389(5) .
C24 C25 1.385(6) .
C24 H24 0.9500 .
C25 C26 1.362(6) .
C25 H25 0.9500 .
C26 C27 1.364(6) .
C26 H26 0.9500 .
C27 C28 1.390(6) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C34 1.389(5) .
C29 C30 1.401(5) .
C30 C31 1.385(5) .
C30 H30 0.9500 .
C31 C32 1.379(5) .
C31 H31 0.9500 .
C32 C33 1.384(5) .
C32 C35 1.515(5) .
C33 C34 1.390(5) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
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
C6 C1 C2 C3 -0.2(5) . . . .
C10 C1 C2 C3 -178.0(3) . . . .
C6 C1 C2 C12 178.6(3) . . . .
C10 C1 C2 C12 0.7(4) . . . .
C1 C2 C3 C4 0.3(5) . . . .
C12 C2 C3 C4 -177.9(4) . . . .
C2 C3 C4 C5 -0.3(6) . . . .
C3 C4 C5 C6 0.2(6) . . . .
C2 C1 C6 C5 0.0(5) . . . .
C10 C1 C6 C5 177.6(3) . . . .
C2 C1 C6 C7 -178.6(3) . . . .
C10 C1 C6 C7 -1.0(5) . . . .
C4 C5 C6 C1 0.0(5) . . . .
C4 C5 C6 C7 178.5(4) . . . .
C1 C6 C7 C8 0.4(5) . . . .
C5 C6 C7 C8 -178.0(4) . . . .
C6 C7 C8 C9 0.0(6) . . . .
C7 C8 C9 C10 0.1(6) . . . .
C8 C9 C10 C1 -0.6(5) . . . .
C8 C9 C10 C11 178.4(4) . . . .
C6 C1 C10 C9 1.1(5) . . . .
C2 C1 C10 C9 179.0(3) . . . .
C6 C1 C10 C11 -178.2(3) . . . .
C2 C1 C10 C11 -0.3(4) . . . .
C9 C10 C11 C16 0.4(7) . . . .
C1 C10 C11 C16 179.5(3) . . . .
C9 C10 C11 C12 -179.4(4) . . . .
C1 C10 C11 C12 -0.3(4) . . . .
C16 C11 C12 C13 0.6(5) . . . .
C10 C11 C12 C13 -179.6(3) . . . .
C16 C11 C12 C2 -179.1(3) . . . .
C10 C11 C12 C2 0.7(4) . . . .
C3 C2 C12 C13 -2.1(7) . . . .
C1 C2 C12 C13 179.5(3) . . . .
C3 C2 C12 C11 177.6(4) . . . .
C1 C2 C12 C11 -0.8(4) . . . .
C11 C12 C13 C14 0.1(5) . . . .
C2 C12 C13 C14 179.7(3) . . . .
C11 C12 C13 C23 -177.5(3) . . . .
C2 C12 C13 C23 2.1(6) . . . .
C12 C13 C14 C15 -1.2(5) . . . .
C23 C13 C14 C15 176.5(3) . . . .
C13 C14 C15 C16 1.6(5) . . . .
C13 C14 C15 C29 -174.2(3) . . . .
C12 C11 C16 C15 -0.2(5) . . . .
C10 C11 C16 C15 -179.9(3) . . . .
C12 C11 C16 C17 -176.5(3) . . . .
C10 C11 C16 C17 3.7(5) . . . .
C14 C15 C16 C11 -0.9(5) . . . .
C29 C15 C16 C11 174.7(3) . . . .
C14 C15 C16 C17 175.6(3) . . . .
C29 C15 C16 C17 -8.9(5) . . . .
C11 C16 C17 C22 114.3(4) . . . .
C15 C16 C17 C22 -62.0(4) . . . .
C11 C16 C17 C18 -67.5(5) . . . .
C15 C16 C17 C18 116.2(4) . . . .
C22 C17 C18 C19 0.5(6) . . . .
C16 C17 C18 C19 -177.7(4) . . . .
C17 C18 C19 C20 0.1(8) . . . .
C18 C19 C20 C21 -0.6(8) . . . .
C19 C20 C21 C22 0.5(6) . . . .
C18 C17 C22 C21 -0.6(5) . . . .
C16 C17 C22 C21 177.7(3) . . . .
C20 C21 C22 C17 0.1(6) . . . .
C12 C13 C23 C28 -101.0(5) . . . .
C14 C13 C23 C28 81.4(5) . . . .
C12 C13 C23 C24 83.4(5) . . . .
C14 C13 C23 C24 -94.2(5) . . . .
C28 C23 C24 C25 0.1(8) . . . .
C13 C23 C24 C25 175.8(5) . . . .
C23 C24 C25 C26 0.0(9) . . . .
C24 C25 C26 C27 0.6(8) . . . .
C25 C26 C27 C28 -1.2(8) . . . .
C24 C23 C28 C27 -0.6(7) . . . .
C13 C23 C28 C27 -176.4(4) . . . .
C26 C27 C28 C23 1.2(8) . . . .
C14 C15 C29 C34 121.8(4) . . . .
C16 C15 C29 C34 -53.9(5) . . . .
C14 C15 C29 C30 -54.3(4) . . . .
C16 C15 C29 C30 130.0(4) . . . .
C34 C29 C30 C31 -0.4(5) . . . .
C15 C29 C30 C31 175.7(3) . . . .
C29 C30 C31 C32 0.1(6) . . . .
C30 C31 C32 C33 -0.2(6) . . . .
C30 C31 C32 C35 179.9(4) . . . .
C31 C32 C33 C34 0.7(6) . . . .
C35 C32 C33 C34 -179.4(4) . . . .
C30 C29 C34 C33 0.8(5) . . . .
C15 C29 C34 C33 -175.3(3) . . . .
C32 C33 C34 C29 -1.0(6) . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 101466150
