Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.
Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio; Organic letters 18 (2016) 4320–4323; doi:10.1021/acs.orglett.6b02070

data_1555685
_publ_section_title
;
 Electron-Accepting \p-Conjugated Molecules with Fluorine-Containing
 Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and
 Semiconducting Characteristics.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              4320
_journal_page_last               4323
_journal_paper_doi               10.1021/acs.orglett.6b02070
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C45 H28 F18 N4 S2'
_chemical_formula_sum            'C45 H28 F18 N4 S2'
_chemical_formula_weight         1030.83
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.968(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.30410(17)
_cell_length_b                   17.8786(4)
_cell_length_c                   26.0132(19)
_cell_measurement_reflns_used    57748
_cell_measurement_temperature    123
_cell_measurement_theta_max      68.24
_cell_measurement_theta_min      3.00
_cell_volume                     4310.9(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID 191R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
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_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.24
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.196
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2080.00
_exptl_crystal_size_max          0.266
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
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_refine_diff_density_min         -0.620
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_refine_ls_shift/su_max          0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1951
_reflns_number_gt                5828
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           F4-C4F9-CN-0208
_cod_original_cell_volume        4310.9(4)
_cod_database_code               1555685