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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/7/23/48/7234869.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_7234869
loop_
_publ_author_name
'Toshiki Higashino'
'Masaki Dogishi'
'Tomofumi Kadoya'
'Ryonosuke Sato'
'Tadashi Kawamoto'
'Takehiko Mori'
_publ_section_title
;
 Air-stable n-channel organic field-effect transistors based on
 charge-transfer complexes including dimethoxybenzothienobenzothiophene
 and tetracyanoquinodimethane derivatives
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5981
_journal_page_last               5987
_journal_paper_doi               10.1039/C6TC01532H
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C28 H12 F4 N4 O2 S2'
_chemical_formula_sum            'C28 H12 F4 N4 O2 S2'
_chemical_formula_weight         576.54
_chemical_name_systematic        (DMeO-BTBT)(F4-TCNQ)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.55(4)
_cell_angle_beta                 105.54(3)
_cell_angle_gamma                71.28(3)
_cell_formula_units_Z            1
_cell_length_a                   7.971(3)
_cell_length_b                   11.720(6)
_cell_length_c                   7.066(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.47
_cell_measurement_theta_min      15.21
_cell_volume                     602.3(5)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        WinAFC
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4170
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.291
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             292.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.210
_refine_diff_density_min         -2.880
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.311
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3503
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3494
_reflns_number_gt                2228
_reflns_number_total             3503
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            J-Mater-Chem-C-2016-4-5981.cif
_cod_data_source_block           DMeOBTBT-F4TCNQ
_cod_original_cell_volume        602.4(5)
_cod_database_code               7234869
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.22428(15) 0.50567(11) 0.41533(17) 0.0274(4) Uani 1.0 2 d . . .
F1 F 0.8538(4) 0.4998(3) 0.1189(5) 0.0352(7) Uani 1.0 2 d . . .
F2 F 0.7783(4) 0.3040(3) 0.1695(5) 0.0356(7) Uani 1.0 2 d . . .
O1 O 0.2957(7) 0.9721(4) 0.2700(7) 0.0453(10) Uani 1.0 2 d . . .
N1 N 0.9028(7) 0.7391(6) 0.0486(9) 0.0496(13) Uani 1.0 2 d . . .
N2 N 0.3427(8) 0.9124(5) -0.1974(9) 0.0490(13) Uani 1.0 2 d . . .
C1 C 0.2868(8) 0.2675(5) 0.5309(8) 0.0347(11) Uani 1.0 2 d . . .
C2 C 0.3552(6) 0.3607(5) 0.5117(7) 0.0255(9) Uani 1.0 2 d . . .
C3 C 0.4221(6) 0.5460(4) 0.4594(6) 0.0240(9) Uani 1.0 2 d . . .
C4 C 0.4547(6) 0.6564(4) 0.4278(6) 0.0250(9) Uani 1.0 2 d . . .
C5 C 0.3309(7) 0.7653(5) 0.3508(7) 0.0288(10) Uani 1.0 2 d . . .
C6 C 0.3985(8) 0.8594(5) 0.3364(7) 0.0312(10) Uani 1.0 2 d . . .
C7 C 0.5900(8) 0.8414(5) 0.3927(8) 0.0356(11) Uani 1.0 2 d . . .
C8 C 0.1088(10) 1.0038(7) 0.2583(12) 0.0571(17) Uani 1.0 2 d . . .
C9 C 0.6415(6) 0.3993(4) 0.0855(6) 0.0223(8) Uani 1.0 2 d . . .
C10 C 0.6787(6) 0.5007(4) 0.0597(6) 0.0231(9) Uani 1.0 2 d . . .
C11 C 0.5411(6) 0.6095(4) -0.0270(6) 0.0232(9) Uani 1.0 2 d . . .
C12 C 0.5797(6) 0.7133(4) -0.0517(7) 0.0260(9) Uani 1.0 2 d . . .
C13 C 0.7640(8) 0.7219(5) 0.0058(8) 0.0342(11) Uani 1.0 2 d . . .
C14 C 0.4428(8) 0.8231(5) -0.1338(8) 0.0344(11) Uani 1.0 2 d . . .
H1 H 0.1615 0.2786 0.4932 0.0416 Uiso 1.0 2 calc R . .
H5 H 0.2060 0.7755 0.3097 0.0346 Uiso 1.0 2 calc R . .
H7 H 0.6333 0.9041 0.3778 0.0427 Uiso 1.0 2 calc R . .
H8A H 0.0919 0.9989 0.3865 0.0685 Uiso 1.0 2 calc R . .
H8B H 0.0567 0.9497 0.1714 0.0685 Uiso 1.0 2 calc R . .
H8C H 0.0491 1.0847 0.2087 0.0685 Uiso 1.0 2 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C2 S1 C3 90.1(3) yes . . .
C6 O1 C8 116.4(6) yes . . .
C2 C1 C7 118.3(6) yes . . 2_666
S1 C2 C1 126.1(4) yes . . .
S1 C2 C4 113.5(4) yes . . 2_666
C1 C2 C4 120.5(4) yes . . 2_666
S1 C3 C3 112.9(4) yes . . 2_666
S1 C3 C4 132.7(3) yes . . .
C3 C3 C4 114.4(5) yes 2_666 . .
C2 C4 C3 109.1(4) yes 2_666 . .
C2 C4 C5 121.4(6) yes 2_666 . .
C3 C4 C5 129.6(5) yes . . .
C4 C5 C6 118.3(5) yes . . .
O1 C6 C5 125.5(5) yes . . .
O1 C6 C7 114.1(6) yes . . .
C5 C6 C7 120.3(5) yes . . .
C1 C7 C6 121.3(6) yes 2_666 . .
F2 C9 C10 119.0(4) yes . . .
F2 C9 C11 118.5(5) yes . . 2_665
C10 C9 C11 122.5(4) yes . . 2_665
F1 C10 C9 118.1(4) yes . . .
F1 C10 C11 118.3(5) yes . . .
C9 C10 C11 123.6(4) yes . . .
C9 C11 C10 113.8(5) yes 2_665 . .
C9 C11 C12 122.8(4) yes 2_665 . .
C10 C11 C12 123.4(5) yes . . .
C11 C12 C13 122.8(4) yes . . .
C11 C12 C14 123.8(5) yes . . .
C13 C12 C14 113.4(5) yes . . .
N1 C13 C12 174.2(6) yes . . .
N2 C14 C12 176.1(8) yes . . .
C2 C1 H1 120.861 no . . .
C7 C1 H1 120.857 no 2_666 . .
C4 C5 H5 120.871 no . . .
C6 C5 H5 120.876 no . . .
C1 C7 H7 119.375 no 2_666 . .
C6 C7 H7 119.370 no . . .
O1 C8 H8A 109.469 no . . .
O1 C8 H8B 109.467 no . . .
O1 C8 H8C 109.471 no . . .
H8A C8 H8B 109.475 no . . .
H8A C8 H8C 109.475 no . . .
H8B C8 H8C 109.469 no . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
S1 C2 1.762(5) yes . .
S1 C3 1.732(6) yes . .
F1 C10 1.342(5) yes . .
F2 C9 1.329(5) yes . .
O1 C6 1.354(6) yes . .
O1 C8 1.396(9) yes . .
N1 C13 1.145(9) yes . .
N2 C14 1.132(7) yes . .
C1 C2 1.397(9) yes . .
C1 C7 1.380(7) yes . 2_666
C2 C4 1.412(7) yes . 2_666
C3 C3 1.375(6) yes . 2_666
C3 C4 1.443(8) yes . .
C4 C5 1.383(6) yes . .
C5 C6 1.395(9) yes . .
C6 C7 1.419(9) yes . .
C9 C10 1.349(8) yes . .
C9 C11 1.438(7) yes . 2_665
C10 C11 1.439(6) yes . .
C11 C12 1.381(8) yes . .
C12 C13 1.451(8) yes . .
C12 C14 1.436(7) yes . .
C1 H1 0.930 no . .
C5 H5 0.930 no . .
C7 H7 0.930 no . .
C8 H8A 0.960 no . .
C8 H8B 0.960 no . .
C8 H8C 0.960 no . .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
S1 C5 3.504(7) no . .
F1 F2 2.624(6) no . .
F1 N1 3.048(8) no . .
F1 C12 2.836(5) no . .
F1 C13 2.599(7) no . .
F2 N2 3.026(8) no . 2_665
F2 C12 2.820(6) no . 2_665
F2 C14 2.603(8) no . 2_665
N1 C11 3.573(9) no . .
N1 C14 3.381(8) no . .
N2 C11 3.551(7) no . .
N2 C13 3.382(7) no . .
C1 C5 2.840(8) no . 2_666
C2 C6 2.779(6) no . 2_666
C4 C7 2.767(9) no . .
C5 C8 2.806(8) no . .
C7 C8 3.591(9) no . .
C9 C9 2.774(6) no . 2_665
C9 C14 2.958(9) no . 2_665
C10 C10 2.751(6) no . 2_665
C10 C13 2.959(9) no . .
C11 C11 2.920(8) no . 2_665
S1 F1 3.147(4) no . 1_455
S1 F1 3.518(4) no . 2_666
S1 F2 3.542(4) no . 2_666
S1 C9 3.598(5) no . 2_666
S1 C10 3.582(5) no . 2_666
F1 S1 3.147(4) no . 1_655
F1 S1 3.518(4) no . 2_666
F1 F1 3.219(5) no . 2_765
F1 N1 3.197(7) no . 2_765
F1 C2 3.488(6) no . 2_666
F1 C13 3.578(6) no . 2_765
F2 S1 3.542(4) no . 2_666
F2 N1 3.200(8) no . 2_765
F2 C3 3.497(6) no . 2_666
O1 N2 3.415(8) no . .
O1 C7 3.252(7) no . 2_676
O1 C14 3.501(8) no . .
N1 F1 3.197(7) no . 2_765
N1 F2 3.200(8) no . 2_765
N2 O1 3.415(8) no . .
N2 C5 3.499(8) no . 1_554
N2 C6 3.424(9) no . 1_554
N2 C7 3.542(10) no . 2_675
N2 C8 3.327(10) no . 2_575
C1 C12 3.556(7) no . 2_666
C1 C13 3.393(9) no . 2_666
C2 F1 3.488(6) no . 2_666
C2 C10 3.356(7) no . 2_666
C2 C11 3.526(6) no . 2_666
C2 C12 3.429(7) no . 2_665
C3 F2 3.497(6) no . 2_666
C3 C9 3.580(7) no . .
C3 C9 3.368(7) no . 2_666
C3 C10 3.576(6) no . 2_665
C3 C11 3.578(6) no . 1_556
C3 C11 3.464(6) no . 2_665
C4 C9 3.554(6) no . 2_665
C4 C10 3.596(7) no . .
C4 C11 3.430(7) no . .
C4 C14 3.536(7) no . 1_556
C5 N2 3.499(8) no . 1_556
C5 C9 3.525(7) no . 2_665
C5 C11 3.595(7) no . .
C5 C14 3.574(8) no . 1_556
C6 N2 3.424(9) no . 1_556
C6 C12 3.511(7) no . .
C6 C14 3.413(8) no . .
C7 O1 3.252(7) no . 2_676
C7 N2 3.542(10) no . 2_675
C7 C12 3.363(7) no . .
C7 C13 3.396(9) no . .
C7 C14 3.600(8) no . .
C8 N2 3.327(10) no . 2_575
C9 S1 3.598(5) no . 2_666
C9 C3 3.580(7) no . .
C9 C3 3.368(7) no . 2_666
C9 C4 3.554(6) no . 2_665
C9 C5 3.525(7) no . 2_665
C10 S1 3.582(5) no . 2_666
C10 C2 3.356(7) no . 2_666
C10 C3 3.576(6) no . 2_665
C10 C4 3.596(7) no . .
C11 C2 3.526(6) no . 2_666
C11 C3 3.578(6) no . 1_554
C11 C3 3.464(6) no . 2_665
C11 C4 3.430(7) no . .
C11 C5 3.595(7) no . .
C12 C1 3.556(7) no . 2_666
C12 C2 3.429(7) no . 2_665
C12 C6 3.511(7) no . .
C12 C7 3.363(7) no . .
C13 F1 3.578(6) no . 2_765
C13 C1 3.393(9) no . 2_666
C13 C7 3.396(9) no . .
C14 O1 3.501(8) no . .
C14 C4 3.536(7) no . 1_554
C14 C5 3.574(8) no . 1_554
C14 C6 3.413(8) no . .
C14 C7 3.600(8) no . .
S1 H1 2.9784 no . .
S1 H5 3.2555 no . .
O1 H5 2.6775 no . .
O1 H7 2.4661 no . .
C2 H5 3.2787 no . 2_666
C2 H7 3.2261 no . 2_666
C3 H5 2.7968 no . .
C4 H1 3.2817 no . 2_666
C5 H7 3.2732 no . .
C5 H8A 2.8267 no . .
C5 H8B 2.6412 no . .
C6 H1 3.2824 no . 2_666
C6 H8A 2.5649 no . .
C6 H8B 2.5584 no . .
C6 H8C 3.1395 no . .
C7 H5 3.2857 no . .
C8 H5 2.5629 no . .
H1 H7 2.3136 no . 2_666
H5 H8A 2.5471 no . .
H5 H8B 2.1623 no . .
H5 H8C 3.4976 no . .
S1 H1 3.4762 no . 2_566
F2 H1 3.2296 no . 1_655
F2 H5 3.4643 no . 2_665
F2 H8C 2.7521 no . 1_645
O1 H7 2.7963 no . 2_676
O1 H8B 3.5450 no . 2_575
N1 H1 3.4428 no . 2_666
N1 H5 2.7521 no . 1_655
N1 H8B 3.0642 no . 1_655
N1 H8C 3.0323 no . 2_675
N2 H7 2.6681 no . 2_675
N2 H8A 3.1131 no . 1_554
N2 H8A 3.2087 no . 2_575
N2 H8B 3.1217 no . 2_575
N2 H8C 3.0916 no . 2_575
C1 H8C 3.5892 no . 1_545
C6 H7 3.2806 no . 2_676
C7 H7 3.4748 no . 2_676
C7 H8A 3.5823 no . 2_676
C8 H1 3.5984 no . 1_565
C8 H7 3.1870 no . 2_676
C8 H8A 3.3250 no . 2_576
C8 H8B 2.9848 no . 2_575
C8 H8C 3.4090 no . 2_575
C9 H5 3.5761 no . 2_665
C13 H1 3.4295 no . 2_666
C13 H7 3.4209 no . .
C14 H7 3.5549 no . 2_675
H1 S1 3.4762 no . 2_566
H1 F2 3.2296 no . 1_455
H1 N1 3.4428 no . 2_666
H1 C8 3.5984 no . 1_545
H1 C13 3.4295 no . 2_666
H1 H8A 3.4892 no . 1_545
H1 H8C 3.1019 no . 1_545
H5 F2 3.4643 no . 2_665
H5 N1 2.7521 no . 1_455
H5 C9 3.5761 no . 2_665
H7 O1 2.7963 no . 2_676
H7 N2 2.6681 no . 2_675
H7 C6 3.2806 no . 2_676
H7 C7 3.4748 no . 2_676
H7 C8 3.1870 no . 2_676
H7 C13 3.4209 no . .
H7 C14 3.5549 no . 2_675
H7 H7 3.2928 no . 2_676
H7 H8A 2.8652 no . 2_676
H7 H8C 3.3395 no . 2_676
H8A N2 3.1131 no . 1_556
H8A N2 3.2087 no . 2_575
H8A C7 3.5823 no . 2_676
H8A C8 3.3250 no . 2_576
H8A H1 3.4892 no . 1_565
H8A H7 2.8652 no . 2_676
H8A H8A 2.4385 no . 2_576
H8A H8B 3.5708 no . 2_576
H8B O1 3.5450 no . 2_575
H8B N1 3.0642 no . 1_455
H8B N2 3.1217 no . 2_575
H8B C8 2.9848 no . 2_575
H8B H8A 3.5708 no . 2_576
H8B H8B 2.5823 no . 2_575
H8B H8C 2.6312 no . 2_575
H8C F2 2.7521 no . 1_465
H8C N1 3.0323 no . 2_675
H8C N2 3.0916 no . 2_575
H8C C1 3.5892 no . 1_565
H8C C8 3.4090 no . 2_575
H8C H1 3.1019 no . 1_565
H8C H7 3.3395 no . 2_676
H8C H8B 2.6312 no . 2_575
H8C H8C 3.4775 no . 2_575
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C2 S1 C3 C3 0.6(3) no . . . 2_666
C2 S1 C3 C4 -179.4(4) no . . . .
C3 S1 C2 C1 178.8(4) no . . . .
C3 S1 C2 C4 -1.1(3) no . . . 2_666
C8 O1 C6 C5 15.5(8) no . . . .
C8 O1 C6 C7 -164.9(5) no . . . .
C2 C1 C7 C6 -0.6(8) no . . 2_666 2_666
C7 C1 C2 S1 179.1(4) no 2_666 . . .
C7 C1 C2 C4 -1.0(8) no 2_666 . . 2_666
S1 C2 C4 C3 1.3(5) no . . 2_666 2_666
S1 C2 C4 C5 -179.2(3) no . . 2_666 2_666
C1 C2 C4 C3 -178.7(4) no . . 2_666 2_666
C1 C2 C4 C5 0.9(7) no . . 2_666 2_666
S1 C3 C3 S1 180(337249) no . . 2_666 2_666
S1 C3 C3 C4 0.0(5) no . . 2_666 2_666
S1 C3 C4 C2 -179.2(3) no . . . 2_666
S1 C3 C4 C5 0.3(8) no . . . .
C3 C3 C4 C2 0.8(5) no 2_666 . . 2_666
C3 C3 C4 C5 -179.7(4) no 2_666 . . .
C4 C3 C3 S1 -0.0(5) no . . 2_666 2_666
C4 C3 C3 C4 -180(422414) no . . 2_666 2_666
C2 C4 C5 C6 -0.8(7) no 2_666 . . .
C3 C4 C5 C6 179.7(4) no . . . .
C4 C5 C6 O1 -178.0(4) no . . . .
C4 C5 C6 C7 2.4(7) no . . . .
O1 C6 C7 C1 178.0(5) no . . . 2_666
C5 C6 C7 C1 -2.3(8) no . . . 2_666
F2 C9 C10 F1 0.6(6) no . . . .
F2 C9 C10 C11 -179.1(4) no . . . .
F2 C9 C11 C10 179.2(4) no . . 2_665 2_665
F2 C9 C11 C12 -1.0(6) no . . 2_665 2_665
C10 C9 C11 C10 -0.4(6) no . . 2_665 2_665
C10 C9 C11 C12 179.5(4) no . . 2_665 2_665
C11 C9 C10 F1 -179.9(4) no 2_665 . . .
C11 C9 C10 C11 0.4(7) no 2_665 . . .
F1 C10 C11 C9 179.9(4) no . . . 2_665
F1 C10 C11 C12 -0.3(7) no . . . .
C9 C10 C11 C9 -0.4(6) no . . . 2_665
C9 C10 C11 C12 179.5(4) no . . . .
C9 C11 C12 C13 -179.4(4) no 2_665 . . .
C9 C11 C12 C14 1.3(7) no 2_665 . . .
C10 C11 C12 C13 0.7(7) no . . . .
C10 C11 C12 C14 -178.5(4) no . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168339099
