Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer
Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio; The Journal of Physical Chemistry C 113 (2009) 17189–; doi:10.1021/jp9077322

data_1516419
_publ_section_title
;
 Comprehensive Evaluation of Electron Mobility for a
 Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer
;
_journal_issue                   39
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              17189
_journal_paper_doi               10.1021/jp9077322
_journal_volume                  113
_journal_year                    2009
_chemical_formula_moiety         'C24 H12 F6 O2 S2 '
_chemical_formula_sum            'C24 H12 F6 O2 S2'
_chemical_formula_weight         510.47
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.844(6)
_cell_length_b                   22.211(19)
_cell_length_c                   13.877(10)
_cell_measurement_reflns_used    2719
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2109(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.054
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8065
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.326
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.930
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1032.00
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.93
_refine_diff_density_min         -1.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.310
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     100
_refine_ls_number_reflns         4558
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                1304
_reflns_number_total             1304
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jp9077322_si_001.cif
_cod_data_source_block           '___090120-2TFAc-sub2'
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_original_formula_sum        'C24 H12 F6 O2 S2 '
_cod_database_code               1516419