#------------------------------------------------------------------------------
#$Date: 2025-08-18 18:33:07 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/50/1545010.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_1545010
loop_
_publ_author_name
'Byun, Yearin'
'Cho, Moses'
'Kim, Daeok'
'Jung, Yousung'
'Coskun, Ali'
_publ_section_title
;
 Edge-Functionalized Graphene Nanoribbon Frameworks for the Capture and
 Separation of Greenhouse Gases
;
_journal_name_full               Macromolecules
_journal_paper_doi               10.1021/acs.macromol.6b02483
_journal_year                    2017
_chemical_formula_moiety         'C72 H50 F12'
_chemical_formula_sum            'C72 H50 F12'
_chemical_formula_weight         1143.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 111.402(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.1206(8)
_cell_length_b                   21.8158(9)
_cell_length_c                   15.5581(6)
_cell_measurement_reflns_used    3191
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.00
_cell_measurement_theta_min      2.23
_cell_volume                     6674.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'SMART (Bruker, 2012)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0672
_diffrn_reflns_av_unetI/netI     0.0810
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            35320
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.394
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_description       plate
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         7278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1759
_refine_ls_R_factor_gt           0.0759
_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)+(0.1281P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2065
_refine_ls_wR_factor_ref         0.2606
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3007
_reflns_number_total             7278
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ma6b02483_si_003.cif
_cod_data_source_block           shelx
_cod_database_code               1545010
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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 0.51251(16) 0.32923(14) 0.03065(19) 0.0571(8) Uani 1 1 d . . . . .
C2 C 0.45028(15) 0.33617(13) 0.04035(19) 0.0525(8) Uani 1 1 d . . . . .
H2 H 0.4115 0.3393 -0.0128 0.063 Uiso 1 1 calc R U . . .
C3 C 0.44282(13) 0.33874(12) 0.12488(18) 0.0438(7) Uani 1 1 d . . . . .
C4 C 0.50212(13) 0.33082(11) 0.20515(17) 0.0420(7) Uani 1 1 d . . . . .
C5 C 0.56617(14) 0.32178(13) 0.19738(18) 0.0463(7) Uani 1 1 d . . . . .
C6 C 0.56962(15) 0.32335(14) 0.10980(19) 0.0547(8) Uani 1 1 d . . . . .
H6 H 0.6119 0.3203 0.1044 0.066 Uiso 1 1 calc R U . . .
C7 C 0.51635(18) 0.3274(2) -0.0662(2) 0.0776(11) Uani 1 1 d . . . . .
C8 C 0.5642(5) 0.2701(5) -0.0709(6) 0.0963(18) Uani 0.464(5) 1 d . . P A 1
H8A H 0.5463 0.2329 -0.0559 0.145 Uiso 0.464(5) 1 calc R U P A 1
H8B H 0.6095 0.2766 -0.0275 0.145 Uiso 0.464(5) 1 calc R U P A 1
H8C H 0.5650 0.2671 -0.1320 0.145 Uiso 0.464(5) 1 calc R U P A 1
C9 C 0.4504(5) 0.3233(6) -0.1419(6) 0.093(3) Uani 0.464(5) 1 d . . P A 1
H9A H 0.4250 0.2897 -0.1309 0.140 Uiso 0.464(5) 1 calc R U P A 1
H9B H 0.4573 0.3167 -0.1989 0.140 Uiso 0.464(5) 1 calc R U P A 1
H9C H 0.4257 0.3608 -0.1457 0.140 Uiso 0.464(5) 1 calc R U P A 1
C10 C 0.5570(6) 0.3802(5) -0.0781(7) 0.105(2) Uani 0.464(5) 1 d . . P A 1
H10A H 0.5570 0.3801 -0.1398 0.158 Uiso 0.464(5) 1 calc R U P A 1
H10B H 0.6029 0.3767 -0.0349 0.158 Uiso 0.464(5) 1 calc R U P A 1
H10C H 0.5375 0.4177 -0.0672 0.158 Uiso 0.464(5) 1 calc R U P A 1
C8A C 0.5869(5) 0.3219(5) -0.0632(5) 0.102(3) Uani 0.536(5) 1 d . . P A 2
H8A1 H 0.6156 0.3499 -0.0184 0.154 Uiso 0.536(5) 1 calc R U P A 2
H8A2 H 0.5880 0.3313 -0.1229 0.154 Uiso 0.536(5) 1 calc R U P A 2
H8A3 H 0.6028 0.2807 -0.0465 0.154 Uiso 0.536(5) 1 calc R U P A 2
C9A C 0.4652(5) 0.2807(5) -0.1255(7) 0.1014(19) Uani 0.536(5) 1 d . . P A 2
H9A1 H 0.4217 0.2877 -0.1208 0.152 Uiso 0.536(5) 1 calc R U P A 2
H9A2 H 0.4805 0.2401 -0.1045 0.152 Uiso 0.536(5) 1 calc R U P A 2
H9A3 H 0.4611 0.2850 -0.1887 0.152 Uiso 0.536(5) 1 calc R U P A 2
C10A C 0.4945(6) 0.3931(4) -0.1093(5) 0.110(3) Uani 0.536(5) 1 d . . P A 2
H10D H 0.5071 0.4232 -0.0610 0.164 Uiso 0.536(5) 1 calc R U P A 2
H10E H 0.4461 0.3941 -0.1416 0.164 Uiso 0.536(5) 1 calc R U P A 2
H10F H 0.5168 0.4019 -0.1517 0.164 Uiso 0.536(5) 1 calc R U P A 2
C11 C 0.37592(13) 0.33930(12) 0.13501(18) 0.0443(7) Uani 1 1 d . . . . .
C12 C 0.31418(14) 0.35633(12) 0.06249(18) 0.0472(7) Uani 1 1 d . . . . .
C13 C 0.25197(14) 0.33866(13) 0.06829(19) 0.0515(8) Uani 1 1 d . . . . .
C14 C 0.25228(14) 0.30218(14) 0.1420(2) 0.0551(8) Uani 1 1 d . . . . .
H14 H 0.2116 0.2849 0.1406 0.066 Uiso 1 1 calc R U . . .
C15 C 0.31140(14) 0.29077(13) 0.21742(19) 0.0501(7) Uani 1 1 d . . . . .
C16 C 0.37310(13) 0.31609(13) 0.21796(18) 0.0450(7) Uani 1 1 d . . . . .
C17 C 0.31476(14) 0.39488(13) -0.01621(19) 0.0530(8) Uani 1 1 d . . . . .
C18 C 0.34722(18) 0.45126(15) 0.0002(2) 0.0738(10) Uani 1 1 d . . . . .
H18 H 0.3684 0.4649 0.0606 0.089 Uiso 1 1 calc R U . . .
C19 C 0.3485(2) 0.48712(18) -0.0716(3) 0.1012(14) Uani 1 1 d . . . . .
H19 H 0.3706 0.5248 -0.0595 0.121 Uiso 1 1 calc R U . . .
C20 C 0.3174(2) 0.4679(2) -0.1607(3) 0.1029(14) Uani 1 1 d . . . . .
C21 C 0.2846(2) 0.41233(19) -0.1788(2) 0.0892(12) Uani 1 1 d . . . . .
H21 H 0.2636 0.3991 -0.2395 0.107 Uiso 1 1 calc R U . . .
C22 C 0.28293(15) 0.37613(15) -0.1069(2) 0.0621(9) Uani 1 1 d . . . . .
H22 H 0.2602 0.3388 -0.1195 0.075 Uiso 1 1 calc R U . . .
C23 C 0.3210(5) 0.5022(4) -0.2483(7) 0.160(3) Uani 1 1 d . . . . .
F24 F 0.3829(6) 0.5102(9) -0.2344(12) 0.206(5) Uani 0.589(13) 1 d . . P B 1
F25 F 0.2970(10) 0.5709(4) -0.2261(11) 0.245(7) Uani 0.589(13) 1 d . . P B 1
F26 F 0.2681(5) 0.4969(5) -0.3180(5) 0.194(5) Uani 0.589(13) 1 d . . P B 1
F24A F 0.3464(13) 0.4607(7) -0.3000(10) 0.235(11) Uani 0.411(13) 1 d . . P B 2
F25A F 0.2891(13) 0.5322(13) -0.268(2) 0.317(14) Uani 0.411(13) 1 d . . P B 2
F26A F 0.3591(13) 0.5435(6) -0.2287(11) 0.176(6) Uani 0.411(13) 1 d . . P B 2
C27 C 0.18449(15) 0.35595(14) -0.0017(2) 0.0564(8) Uani 1 1 d . . . . .
C28 C 0.16718(18) 0.41711(16) -0.0232(2) 0.0791(11) Uani 1 1 d . . . . .
H28 H 0.1989 0.4478 0.0032 0.095 Uiso 1 1 calc R U . . .
C29 C 0.1027(2) 0.43207(19) -0.0839(3) 0.0941(13) Uani 1 1 d . . . . .
H29 H 0.0914 0.4730 -0.0980 0.113 Uiso 1 1 calc R U . . .
C30 C 0.0556(2) 0.3876(2) -0.1234(3) 0.0986(13) Uani 1 1 d . . . . .
H30 H 0.0125 0.3984 -0.1644 0.118 Uiso 1 1 calc R U . . .
C31 C 0.07152(18) 0.32736(19) -0.1028(3) 0.0889(12) Uani 1 1 d . . . . .
H31 H 0.0394 0.2969 -0.1290 0.107 Uiso 1 1 calc R U . . .
C32 C 0.13637(16) 0.31210(16) -0.0422(2) 0.0711(10) Uani 1 1 d . . . . .
H32 H 0.1474 0.2710 -0.0287 0.085 Uiso 1 1 calc R U . . .
C33 C 0.30760(15) 0.24745(14) 0.2890(2) 0.0536(8) Uani 1 1 d . . . . .
C34 C 0.25744(16) 0.25269(16) 0.3264(2) 0.0666(9) Uani 1 1 d . . . . .
H34 H 0.2259 0.2844 0.3076 0.080 Uiso 1 1 calc R U . . .
C35 C 0.25421(18) 0.21079(18) 0.3916(2) 0.0765(10) Uani 1 1 d . . . . .
H35 H 0.2200 0.2145 0.4157 0.092 Uiso 1 1 calc R U . . .
C36 C 0.3000(2) 0.16433(17) 0.4212(3) 0.0749(10) Uani 1 1 d . . . . .
C37 C 0.34984(19) 0.15814(16) 0.3840(2) 0.0772(10) Uani 1 1 d . . . . .
H37 H 0.3811 0.1262 0.4032 0.093 Uiso 1 1 calc R U . . .
C38 C 0.35342(16) 0.19883(15) 0.3188(2) 0.0651(9) Uani 1 1 d . . . . .
H38 H 0.3870 0.1940 0.2939 0.078 Uiso 1 1 calc R U . . .
C39 C 0.2992(4) 0.1216(3) 0.4954(4) 0.1116(16) Uani 1 1 d . . . . .
F40 F 0.3357(9) 0.1466(4) 0.5806(4) 0.158(4) Uani 0.667(17) 1 d . . P C 1
F41 F 0.3238(8) 0.0694(3) 0.4947(10) 0.169(6) Uani 0.667(17) 1 d . . P C 1
F42 F 0.2415(5) 0.1134(6) 0.4981(9) 0.178(6) Uani 0.667(17) 1 d . . P C 1
F40A F 0.2351(12) 0.0808(9) 0.4382(17) 0.201(7) Uani 0.333(17) 1 d . . P C 2
F41A F 0.3493(18) 0.0892(17) 0.529(3) 0.220(11) Uani 0.333(17) 1 d . . P C 2
F42A F 0.2709(15) 0.1424(7) 0.5498(11) 0.124(10) Uani 0.333(17) 1 d . . P C 2
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'
F F 0.0171 0.0103 '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_3
C6 C1 C2 117.9(3) .
C6 C1 C7 122.0(3) .
C2 C1 C7 120.1(3) .
C3 C2 C1 123.4(3) .
C3 C2 H2 118.3 .
C1 C2 H2 118.3 .
C2 C3 C4 117.5(2) .
C2 C3 C11 123.2(2) .
C4 C3 C11 118.6(2) .
C5 C4 C3 120.4(2) .
C5 C4 C4 119.0(3) 2_655
C3 C4 C4 120.6(3) 2_655
C6 C5 C4 118.3(2) .
C6 C5 C16 122.6(3) 2_655
C4 C5 C16 118.9(2) 2_655
C1 C6 C5 122.4(3) .
C1 C6 H6 118.8 .
C5 C6 H6 118.8 .
C9 C7 C10 111.7(7) .
C8A C7 C9A 116.6(6) .
C9 C7 C1 114.6(5) .
C8A C7 C1 112.6(4) .
C10 C7 C1 109.9(5) .
C9A C7 C1 109.3(5) .
C8A C7 C10A 102.9(6) .
C9A C7 C10A 108.4(6) .
C1 C7 C10A 106.3(4) .
C9 C7 C8 110.0(6) .
C10 C7 C8 101.1(6) .
C1 C7 C8 108.7(4) .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C7 C9 H9A 109.5 .
C7 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C7 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C7 C10 H10A 109.5 .
C7 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C7 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C7 C8A H8A1 109.5 .
C7 C8A H8A2 109.5 .
H8A1 C8A H8A2 109.5 .
C7 C8A H8A3 109.5 .
H8A1 C8A H8A3 109.5 .
H8A2 C8A H8A3 109.5 .
C7 C9A H9A1 109.5 .
C7 C9A H9A2 109.5 .
H9A1 C9A H9A2 109.5 .
C7 C9A H9A3 109.5 .
H9A1 C9A H9A3 109.5 .
H9A2 C9A H9A3 109.5 .
C7 C10A H10D 109.5 .
C7 C10A H10E 109.5 .
H10D C10A H10E 109.5 .
C7 C10A H10F 109.5 .
H10D C10A H10F 109.5 .
H10E C10A H10F 109.5 .
C16 C11 C12 119.1(2) .
C16 C11 C3 117.2(2) .
C12 C11 C3 123.4(2) .
C13 C12 C11 119.0(3) .
C13 C12 C17 119.8(2) .
C11 C12 C17 121.2(3) .
C14 C13 C12 119.1(2) .
C14 C13 C27 117.5(3) .
C12 C13 C27 123.4(3) .
C15 C14 C13 122.0(3) .
C15 C14 H14 119.0 .
C13 C14 H14 119.0 .
C14 C15 C16 118.5(3) .
C14 C15 C33 118.0(3) .
C16 C15 C33 123.1(3) .
C11 C16 C15 118.9(2) .
C11 C16 C5 118.4(2) 2_655
C15 C16 C5 122.7(2) 2_655
C22 C17 C18 118.2(3) .
C22 C17 C12 121.6(3) .
C18 C17 C12 120.1(3) .
C19 C18 C17 120.8(3) .
C19 C18 H18 119.6 .
C17 C18 H18 119.6 .
C20 C19 C18 120.4(4) .
C20 C19 H19 119.8 .
C18 C19 H19 119.8 .
C19 C20 C21 120.0(4) .
C19 C20 C23 125.0(5) .
C21 C20 C23 114.8(5) .
C20 C21 C22 119.9(3) .
C20 C21 H21 120.1 .
C22 C21 H21 120.1 .
C21 C22 C17 120.7(3) .
C21 C22 H22 119.7 .
C17 C22 H22 119.7 .
F25A C23 F26A 84(2) .
F26 C23 F24 135.1(13) .
F25A C23 F24A 130(3) .
F26A C23 F24A 105.6(17) .
F25A C23 C20 112(2) .
F26A C23 C20 112.6(11) .
F26 C23 C20 113.4(7) .
F24 C23 C20 106.9(8) .
F24A C23 C20 109.1(7) .
F26 C23 F25 91.1(12) .
F24 C23 F25 102.5(13) .
C20 C23 F25 97.7(9) .
C32 C27 C28 118.3(3) .
C32 C27 C13 120.6(3) .
C28 C27 C13 121.0(3) .
C29 C28 C27 119.8(3) .
C29 C28 H28 120.1 .
C27 C28 H28 120.1 .
C30 C29 C28 121.0(4) .
C30 C29 H29 119.5 .
C28 C29 H29 119.5 .
C29 C30 C31 120.1(3) .
C29 C30 H30 120.0 .
C31 C30 H30 120.0 .
C30 C31 C32 119.1(4) .
C30 C31 H31 120.4 .
C32 C31 H31 120.4 .
C27 C32 C31 121.8(3) .
C27 C32 H32 119.1 .
C31 C32 H32 119.1 .
C34 C33 C38 117.9(3) .
C34 C33 C15 121.4(3) .
C38 C33 C15 120.7(3) .
C33 C34 C35 120.1(3) .
C33 C34 H34 119.9 .
C35 C34 H34 119.9 .
C36 C35 C34 121.4(3) .
C36 C35 H35 119.3 .
C34 C35 H35 119.3 .
C35 C36 C37 119.2(3) .
C35 C36 C39 121.5(4) .
C37 C36 C39 119.3(4) .
C38 C37 C36 120.2(3) .
C38 C37 H37 119.9 .
C36 C37 H37 119.9 .
C37 C38 C33 121.2(3) .
C37 C38 H38 119.4 .
C33 C38 H38 119.4 .
F42 C39 F41 106.4(10) .
F41A C39 F42A 117.8(15) .
F42 C39 F40 103.6(8) .
F41 C39 F40 106.3(10) .
F41A C39 C36 116.0(11) .
F42 C39 C36 113.8(6) .
F41 C39 C36 116.1(8) .
F42A C39 C36 115.4(7) .
F40 C39 C36 109.7(5) .
F41A C39 F40A 110(3) .
F42A C39 F40A 93.5(14) .
C36 C39 F40A 99.4(9) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.380(4) .
C1 C2 1.385(4) .
C1 C7 1.538(4) .
C2 C3 1.382(4) .
C2 H2 0.9300 .
C3 C4 1.420(3) .
C3 C11 1.478(4) .
C4 C5 1.415(4) .
C4 C4 1.431(5) 2_655
C5 C6 1.391(4) .
C5 C16 1.471(4) 2_655
C6 H6 0.9300 .
C7 C9 1.462(10) .
C7 C8A 1.479(9) .
C7 C10 1.488(10) .
C7 C9A 1.526(9) .
C7 C10A 1.578(8) .
C7 C8 1.625(9) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C8A H8A1 0.9600 .
C8A H8A2 0.9600 .
C8A H8A3 0.9600 .
C9A H9A1 0.9600 .
C9A H9A2 0.9600 .
C9A H9A3 0.9600 .
C10A H10D 0.9600 .
C10A H10E 0.9600 .
C10A H10F 0.9600 .
C11 C16 1.408(4) .
C11 C12 1.427(4) .
C12 C13 1.403(4) .
C12 C17 1.489(4) .
C13 C14 1.394(4) .
C13 C27 1.492(4) .
C14 C15 1.389(4) .
C14 H14 0.9300 .
C15 C16 1.413(4) .
C15 C33 1.485(4) .
C16 C5 1.471(4) 2_655
C17 C22 1.385(4) .
C17 C18 1.386(4) .
C18 C19 1.372(5) .
C18 H18 0.9300 .
C19 C20 1.365(5) .
C19 H19 0.9300 .
C20 C21 1.373(5) .
C20 C23 1.581(9) .
C21 C22 1.381(4) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 F25A 0.909(19) .
C23 F26A 1.172(14) .
C23 F26 1.246(10) .
C23 F24 1.257(13) .
C23 F24A 1.438(17) .
C23 F25 1.658(18) .
F25A F26A 1.40(3) .
C27 C32 1.370(4) .
C27 C28 1.392(4) .
C28 C29 1.383(4) .
C28 H28 0.9300 .
C29 C30 1.365(5) .
C29 H29 0.9300 .
C30 C31 1.366(5) .
C30 H30 0.9300 .
C31 C32 1.391(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.386(4) .
C33 C38 1.396(4) .
C34 C35 1.386(4) .
C34 H34 0.9300 .
C35 C36 1.360(5) .
C35 H35 0.9300 .
C36 C37 1.382(5) .
C36 C39 1.489(6) .
C37 C38 1.371(4) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 F41A 1.22(2) .
C39 F42 1.247(9) .
C39 F41 1.253(11) .
C39 F42A 1.283(15) .
C39 F40 1.378(9) .
C39 F40A 1.59(2) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139049480
