#------------------------------------------------------------------------------
#$Date: 2025-08-20 16:59:05 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301833 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/27/4112714.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_4112714
loop_
_publ_author_name
'Youichi Sakamoto'
'Toshiyasu Suzuki'
'Masafumi Kobayashi'
'Yuan Gao'
'Yasushi Fukai'
'Youji Inoue'
'Fumio Sato'
'Shizuo Tokito'
_publ_contact_author_email       toshy@ims.ac.jp
_publ_contact_author_fax         0564-59-5510
_publ_contact_author_name        'Toshiyasu Suzuki'
_publ_contact_author_phone       0564-59-5530
_publ_section_title
;
 Perfluoropentacene: High-Performance p-n Junctions and Complementary
 Circuits with Pentacene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8138
_journal_page_last               8140
_journal_paper_doi               10.1021/ja0476258
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C22 F14 '
_chemical_formula_sum            'C22 F14'
_chemical_formula_weight         530.22
_space_group_IT_number           14
_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'
_audit_creation_date             2003-10-27
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90
_cell_angle_beta                 91.567(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.51(1)
_cell_length_b                   4.490(4)
_cell_length_c                   11.449(11)
_cell_measurement_reflns_used    1805
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     797.0(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.8018
_diffrn_measured_fraction_theta_max 0.8026
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3304
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.244
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_description       platelet
_exptl_crystal_F_000             516.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1536
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0040Fo² + 3.0000σ(Fo²) + 0.5000]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                1111
_reflns_number_total             1652
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja0476258si20040516_055623.cif
_cod_data_source_block           '__173K'
_cod_original_cell_volume        797.0(13)
_cod_original_formula_sum        'C22 F14 '
_cod_database_code               4112714
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
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
F(2) F 0.97030(12) 0.7463(5) 0.9405(2) 0.0344(6) Uani 1.00 1 d
F(3) F 0.94360(13) 0.3105(5) 0.7819(2) 0.0349(6) Uani 1.00 1 d
F(4) F 0.78629(12) 0.0806(4) 0.7421(2) 0.0295(6) Uani 1.00 1 d
F(5) F 0.62767(12) 0.0785(4) 0.7883(2) 0.0263(5) Uani 1.00 1 d
F(6) F 0.52851(12) 0.9235(4) 1.1668(2) 0.0262(5) Uani 1.00 1 d
F(7) F 0.68477(12) 0.9256(4) 1.1224(2) 0.0274(5) Uani 1.00 1 d
F(8) F 0.84290(13) 0.9405(5) 1.0742(2) 0.0316(6) Uani 1.00 1 d
C(1) C 0.8253(2) 0.7298(7) 0.9937(3) 0.0224(8) Uani 1.00 1 d
C(2) C 0.8908(2) 0.6302(8) 0.9282(3) 0.0257(9) Uani 1.00 1 d
C(3) C 0.8763(2) 0.4082(7) 0.8424(3) 0.0252(9) Uani 1.00 1 d
C(4) C 0.7965(2) 0.2941(7) 0.8234(3) 0.0215(8) Uani 1.00 1 d
C(5) C 0.7243(2) 0.3942(7) 0.8881(2) 0.0201(8) Uani 1.00 1 d
C(6) C 0.6411(2) 0.2891(7) 0.8703(3) 0.0198(8) Uani 1.00 1 d
C(7) C 0.5695(2) 0.3898(7) 0.9334(2) 0.0191(8) Uani 1.00 1 d
C(8) C 0.5144(2) 0.7154(7) 1.0850(3) 0.0206(8) Uani 1.00 1 d
C(9) C 0.5850(2) 0.6127(7) 1.0226(2) 0.0184(8) Uani 1.00 1 d
C(10) C 0.6701(2) 0.7172(7) 1.0406(2) 0.0190(8) Uani 1.00 1 d
C(11) C 0.7400(2) 0.6176(7) 0.9772(2) 0.0196(8) Uani 1.00 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, 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_publ_flag
C(2) C(1) C(11) 121.2(3) yes
C(2) C(1) F(8) 118.1(3) yes
C(11) C(1) F(8) 120.7(3) yes
C(3) C(2) F(2) 118.3(3) yes
C(3) C(2) C(1) 120.7(3) yes
F(2) C(2) C(1) 120.9(3) yes
C(4) C(3) F(3) 121.0(3) yes
C(4) C(3) C(2) 120.4(3) yes
F(3) C(3) C(2) 118.6(3) yes
C(5) C(4) F(4) 120.2(3) yes
C(5) C(4) C(3) 121.6(3) yes
F(4) C(4) C(3) 118.2(3) yes
C(6) C(5) C(11) 118.5(3) yes
C(6) C(5) C(4) 123.8(3) yes
C(11) C(5) C(4) 117.6(3) yes
C(7) C(6) F(5) 118.1(3) yes
C(7) C(6) C(5) 123.9(3) yes
F(5) C(6) C(5) 117.9(3) yes
C(9) C(7) C(6) 117.6(3) yes
C(9) C(8) F(6) 118.1(3) yes
C(10) C(9) C(7) 118.1(3) yes
C(10) C(9) C(8) 123.8(3) yes
C(7) C(9) C(8) 118.1(3) yes
C(11) C(10) F(7) 118.0(3) yes
C(11) C(10) C(9) 123.7(3) yes
F(7) C(10) C(9) 118.4(3) yes
C(1) C(11) C(5) 118.4(3) yes
C(1) C(11) C(10) 123.4(3) yes
C(5) C(11) C(10) 118.2(3) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
F(2) C(2) 1.343(4) yes
F(3) C(3) 1.342(4) yes
F(4) C(4) 1.343(4) yes
F(5) C(6) 1.345(4) yes
F(6) C(8) 1.337(3) yes
F(7) C(10) 1.339(3) yes
F(8) C(1) 1.343(4) yes
C(1) C(2) 1.355(5) yes
C(1) C(11) 1.423(4) yes
C(2) C(3) 1.413(5) yes
C(3) C(4) 1.352(5) yes
C(4) C(5) 1.431(4) yes
C(5) C(6) 1.383(4) yes
C(5) C(11) 1.447(4) yes
C(6) C(7) 1.415(4) yes
C(7) C(9) 1.445(4) yes
C(8) C(9) 1.402(4) yes
C(9) C(10) 1.411(4) yes
C(10) C(11) 1.394(4) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
F(2) F(3) 2.694(3) yes 55501
F(2) F(3) 3.138(3) yes 56501
F(2) F(4) 3.899(3) yes 56501
F(2) F(8) 2.678(3) yes 55501
F(2) C(1) 2.347(4) yes 55501
F(2) C(3) 2.367(4) yes 55501
F(2) C(3) 3.483(4) yes 56501
F(2) C(4) 3.604(4) yes 55501
F(2) C(4) 3.862(4) yes 56501
F(2) C(11) 3.654(4) yes 55501
F(3) F(2) 3.138(3) yes 54501
F(3) F(2) 2.694(3) yes 55501
F(3) F(4) 2.677(3) yes 55501
F(3) C(1) 3.611(4) yes 55501
F(3) C(2) 3.590(4) yes 54501
F(3) C(2) 2.370(4) yes 55501
F(3) C(4) 2.344(4) yes 55501
F(3) C(5) 3.662(4) yes 55501
F(4) F(2) 3.899(3) yes 54501
F(4) F(3) 2.677(3) yes 55501
F(4) F(5) 2.531(3) yes 55501
F(4) F(8) 3.929(3) yes 54501
F(4) C(1) 3.324(4) yes 54501
F(4) C(2) 3.326(4) yes 54501
F(4) C(2) 3.615(4) yes 55501
F(4) C(3) 3.506(4) yes 54501
F(4) C(3) 2.312(4) yes 55501
F(4) C(4) 3.654(4) yes 54501
F(4) C(5) 3.647(4) yes 54501
F(4) C(5) 2.405(4) yes 55501
F(4) C(6) 2.878(4) yes 55501
F(4) C(11) 3.491(3) yes 54501
F(4) C(11) 3.699(3) yes 55501
F(5) F(4) 2.531(3) yes 55501
F(5) F(7) 3.962(2) yes 54501
F(5) C(4) 2.810(4) yes 55501
F(5) C(5) 3.592(4) yes 54501
F(5) C(5) 2.338(4) yes 55501
F(5) C(6) 3.671(4) yes 54501
F(5) C(7) 3.636(4) yes 54501
F(5) C(7) 2.368(3) yes 55501
F(5) C(9) 3.479(3) yes 54501
F(5) C(9) 3.671(3) yes 55501
F(5) C(10) 3.362(3) yes 54501
F(5) C(11) 3.434(3) yes 54501
F(5) C(11) 3.656(3) yes 55501
F(6) F(5) 3.044(3) yes 55504
F(6) F(5) 3.030(3) yes 56504
F(6) F(7) 2.490(3) yes 55501
F(6) C(5) 3.986(3) yes 56504
F(6) C(6) 3.150(3) yes 56504
F(6) C(7) 3.659(3) yes 55501
F(6) C(7) 3.468(3) yes 56501
F(6) C(7) 3.212(3) yes 56504
F(6) C(8) 3.682(4) yes 56501
F(6) C(9) 2.350(3) yes 55501
F(6) C(9) 3.626(3) yes 56501
F(6) C(10) 2.818(4) yes 55501
F(7) F(4) 3.067(3) yes 55504
F(7) F(4) 3.026(3) yes 56504
F(7) F(5) 3.962(2) yes 56501
F(7) F(5) 3.100(3) yes 55504
F(7) F(5) 3.073(3) yes 56504
F(7) F(6) 2.490(3) yes 55501
F(7) F(8) 2.530(3) yes 55501
F(7) C(1) 2.805(4) yes 55501
F(7) C(3) 3.914(4) yes 56504
F(7) C(4) 3.109(3) yes 56504
F(7) C(5) 3.655(3) yes 55501
F(7) C(5) 3.477(3) yes 56501
F(7) C(5) 3.190(3) yes 56504
F(7) C(6) 3.368(3) yes 56501
F(7) C(6) 3.203(3) yes 56504
F(7) C(7) 3.668(3) yes 55501
F(7) C(7) 3.466(3) yes 56501
F(7) C(8) 2.828(4) yes 55501
F(7) C(9) 2.362(3) yes 55501
F(7) C(9) 3.622(4) yes 56501
F(7) C(10) 3.681(4) yes 56501
F(7) C(11) 2.342(3) yes 55501
F(7) C(11) 3.637(4) yes 56501
F(8) F(2) 2.678(3) yes 55501
F(8) F(3) 3.023(3) yes 56504
F(8) F(4) 3.929(3) yes 56501
F(8) F(4) 3.168(3) yes 55504
F(8) F(4) 3.031(3) yes 56504
F(8) F(7) 2.530(3) yes 55501
F(8) C(1) 3.670(4) yes 56501
F(8) C(2) 2.314(4) yes 55501
F(8) C(2) 3.606(4) yes 56501
F(8) C(3) 3.619(4) yes 55501
F(8) C(3) 3.435(4) yes 56501
F(8) C(3) 3.174(4) yes 56504
F(8) C(4) 3.342(3) yes 56501
F(8) C(4) 3.193(3) yes 56504
F(8) C(5) 3.705(4) yes 55501
F(8) C(5) 3.444(4) yes 56501
F(8) C(10) 2.877(4) yes 55501
F(8) C(11) 2.405(4) yes 55501
F(8) C(11) 3.595(4) yes 56501
C(1) F(2) 2.347(4) yes 55501
C(1) F(3) 3.611(4) yes 55501
C(1) F(4) 3.324(4) yes 56501
C(1) F(4) 3.239(4) yes 55504
C(1) F(7) 2.805(4) yes 55501
C(1) F(8) 3.670(4) yes 54501
C(1) C(3) 2.406(4) yes 55501
C(1) C(3) 3.603(5) yes 56501
C(1) C(4) 2.789(4) yes 55501
C(1) C(4) 3.221(4) yes 56501
C(1) C(5) 2.466(4) yes 55501
C(1) C(5) 3.565(4) yes 56501
C(1) C(6) 3.721(4) yes 55501
C(1) C(9) 3.787(5) yes 55501
C(1) C(10) 2.481(5) yes 55501
C(2) F(3) 2.370(4) yes 55501
C(2) F(3) 3.590(4) yes 56501
C(2) F(4) 3.615(4) yes 55501
C(2) F(4) 3.326(4) yes 56501
C(2) F(8) 3.606(4) yes 54501
C(2) F(8) 2.314(4) yes 55501
C(2) C(3) 3.634(5) yes 56501
C(2) C(4) 2.399(5) yes 55501
C(2) C(4) 3.517(5) yes 56501
C(2) C(5) 2.817(5) yes 55501
C(2) C(10) 3.709(5) yes 55501
C(2) C(11) 2.420(5) yes 55501
C(3) F(2) 3.483(4) yes 54501
C(3) F(2) 2.367(4) yes 55501
C(3) F(4) 2.312(4) yes 55501
C(3) F(4) 3.506(4) yes 56501
C(3) F(8) 3.435(4) yes 54501
C(3) F(8) 3.619(4) yes 55501
C(3) C(1) 3.603(5) yes 54501
C(3) C(1) 2.406(4) yes 55501
C(3) C(2) 3.634(5) yes 54501
C(3) C(5) 2.430(5) yes 55501
C(3) C(6) 3.709(5) yes 55501
C(3) C(11) 2.814(5) yes 55501
C(4) F(2) 3.862(4) yes 54501
C(4) F(2) 3.604(4) yes 55501
C(4) F(3) 2.344(4) yes 55501
C(4) F(4) 3.654(4) yes 56501
C(4) F(5) 2.810(4) yes 55501
C(4) F(8) 3.342(3) yes 54501
C(4) C(1) 3.221(4) yes 54501
C(4) C(1) 2.789(4) yes 55501
C(4) C(2) 3.517(5) yes 54501
C(4) C(2) 2.399(5) yes 55501
C(4) C(6) 2.483(5) yes 55501
C(4) C(7) 3.796(4) yes 55501
C(4) C(10) 3.728(4) yes 55501
C(4) C(11) 3.631(4) yes 54501
C(4) C(11) 2.463(4) yes 55501
C(5) F(3) 3.662(4) yes 55501
C(5) F(4) 2.405(4) yes 55501
C(5) F(4) 3.647(4) yes 56501
C(5) F(5) 2.338(4) yes 55501
C(5) F(5) 3.592(4) yes 56501
C(5) F(7) 3.477(3) yes 54501
C(5) F(7) 3.655(3) yes 55501
C(5) F(8) 3.444(4) yes 54501
C(5) F(8) 3.705(4) yes 55501
C(5) C(1) 3.565(4) yes 54501
C(5) C(1) 2.466(4) yes 55501
C(5) C(2) 2.817(5) yes 55501
C(5) C(3) 2.430(5) yes 55501
C(5) C(7) 2.470(4) yes 55501
C(5) C(9) 2.861(4) yes 55501
C(5) C(10) 3.616(4) yes 54501
C(5) C(10) 2.438(4) yes 55501
C(5) C(11) 3.640(4) yes 54501
C(6) F(4) 2.878(4) yes 55501
C(6) F(5) 3.671(4) yes 56501
C(6) F(7) 3.368(3) yes 54501
C(6) C(1) 3.721(4) yes 55501
C(6) C(3) 3.709(5) yes 55501
C(6) C(4) 2.483(5) yes 55501
C(6) C(8) 3.719(4) yes 55501
C(6) C(9) 3.620(4) yes 54501
C(6) C(9) 2.447(4) yes 55501
C(6) C(10) 3.248(4) yes 54501
C(6) C(10) 2.766(4) yes 55501
C(6) C(11) 3.583(4) yes 54501
C(6) C(11) 2.433(4) yes 55501
C(7) F(5) 2.368(3) yes 55501
C(7) F(5) 3.636(4) yes 56501
C(7) F(6) 3.468(3) yes 54501
C(7) F(6) 3.659(3) yes 55501
C(7) F(7) 3.466(3) yes 54501
C(7) F(7) 3.668(3) yes 55501
C(7) C(4) 3.796(4) yes 55501
C(7) C(5) 2.470(4) yes 55501
C(7) C(8) 3.605(4) yes 54501
C(7) C(8) 2.442(4) yes 55501
C(7) C(9) 3.642(4) yes 54501
C(7) C(10) 3.600(4) yes 54501
C(7) C(10) 2.449(4) yes 55501
C(7) C(11) 2.866(4) yes 55501
C(8) F(5) 3.166(3) yes 55504
C(8) F(6) 3.682(4) yes 54501
C(8) F(7) 2.828(4) yes 55501
C(8) C(6) 3.719(4) yes 55501
C(8) C(7) 2.442(4) yes 55501
C(8) C(7) 3.605(4) yes 56501
C(8) C(10) 2.482(4) yes 55501
C(8) C(11) 3.768(4) yes 55501
C(9) F(5) 3.671(3) yes 55501
C(9) F(5) 3.479(3) yes 56501
C(9) F(5) 3.213(3) yes 55504
C(9) F(6) 3.626(3) yes 54501
C(9) F(6) 2.350(3) yes 55501
C(9) F(7) 3.622(4) yes 54501
C(9) F(7) 2.362(3) yes 55501
C(9) C(1) 3.787(5) yes 55501
C(9) C(5) 2.861(4) yes 55501
C(9) C(6) 2.447(4) yes 55501
C(9) C(6) 3.620(4) yes 56501
C(9) C(7) 3.642(4) yes 56501
C(9) C(11) 2.473(4) yes 55501
C(10) F(4) 3.183(3) yes 55504
C(10) F(5) 3.362(3) yes 56501
C(10) F(5) 3.216(3) yes 55504
C(10) F(6) 2.818(4) yes 55501
C(10) F(7) 3.681(4) yes 54501
C(10) F(8) 2.877(4) yes 55501
C(10) C(1) 2.481(5) yes 55501
C(10) C(2) 3.709(5) yes 55501
C(10) C(4) 3.728(4) yes 55501
C(10) C(5) 2.438(4) yes 55501
C(10) C(5) 3.616(4) yes 56501
C(10) C(6) 2.766(4) yes 55501
C(10) C(6) 3.248(4) yes 56501
C(10) C(7) 2.449(4) yes 55501
C(10) C(7) 3.600(4) yes 56501
C(10) C(8) 2.482(4) yes 55501
C(11) F(2) 3.654(4) yes 55501
C(11) F(4) 3.699(3) yes 55501
C(11) F(4) 3.491(3) yes 56501
C(11) F(4) 3.223(3) yes 55504
C(11) F(5) 3.656(3) yes 55501
C(11) F(5) 3.434(3) yes 56501
C(11) F(7) 3.637(4) yes 54501
C(11) F(7) 2.342(3) yes 55501
C(11) F(8) 3.595(4) yes 54501
C(11) F(8) 2.405(4) yes 55501
C(11) C(2) 2.420(5) yes 55501
C(11) C(3) 2.814(5) yes 55501
C(11) C(4) 2.463(4) yes 55501
C(11) C(4) 3.631(4) yes 56501
C(11) C(5) 3.640(4) yes 56501
C(11) C(6) 2.433(4) yes 55501
C(11) C(6) 3.583(4) yes 56501
C(11) C(7) 2.866(4) yes 55501
C(11) C(8) 3.768(4) yes 55501
C(11) C(9) 2.473(4) yes 55501
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_publ_flag
F(8) C(1) C(2) F(2) -2.3(5) yes
F(8) C(1) C(2) C(3) 179.8(3) yes
C(11) C(1) C(2) F(2) 177.0(3) yes
C(11) C(1) C(2) C(3) -0.9(5) yes
F(8) C(1) C(11) C(5) 179.0(3) yes
F(8) C(1) C(11) C(10) 0.7(5) yes
C(2) C(1) C(11) C(5) -0.3(4) yes
C(2) C(1) C(11) C(10) -178.6(3) yes
F(2) C(2) C(3) F(3) 3.9(5) yes
F(2) C(2) C(3) C(4) -177.1(3) yes
C(1) C(2) C(3) F(3) -178.2(3) yes
C(1) C(2) C(3) C(4) 0.8(5) yes
F(3) C(3) C(4) F(4) -0.1(5) yes
F(3) C(3) C(4) C(5) 179.4(3) yes
C(2) C(3) C(4) F(4) -179.0(3) yes
C(2) C(3) C(4) C(5) 0.5(5) yes
F(4) C(4) C(5) C(6) -1.8(5) yes
F(4) C(4) C(5) C(11) 177.9(3) yes
C(3) C(4) C(5) C(6) 178.6(3) yes
C(3) C(4) C(5) C(11) -1.6(4) yes
C(4) C(5) C(6) F(5) 0.7(4) yes
C(4) C(5) C(6) C(7) -179.4(3) yes
C(11) C(5) C(6) F(5) -179.1(3) yes
C(11) C(5) C(6) C(7) 0.9(5) yes
C(4) C(5) C(11) C(1) 1.5(4) yes
C(4) C(5) C(11) C(10) 179.9(3) yes
C(6) C(5) C(11) C(1) -178.7(3) yes
C(6) C(5) C(11) C(10) -0.3(4) yes
F(5) C(6) C(7) C(9) 179.0(3) yes
C(5) C(6) C(7) C(9) -0.9(4) yes
C(6) C(7) C(9) C(8) 179.6(3) yes
C(6) C(7) C(9) C(10) 0.4(4) yes
F(6) C(8) C(9) C(7) -179.4(3) yes
F(6) C(8) C(9) C(10) -0.3(5) yes
C(7) C(9) C(10) F(7) 179.4(2) yes
C(7) C(9) C(10) C(11) 0.0(4) yes
C(8) C(9) C(10) F(7) 0.3(4) yes
C(8) C(9) C(10) C(11) -179.1(3) yes
F(7) C(10) C(11) C(1) -1.2(5) yes
F(7) C(10) C(11) C(5) -179.5(3) yes
C(9) C(10) C(11) C(1) 178.2(3) yes
C(9) C(10) C(11) C(5) -0.1(4) yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 12143313
