High-Performance and Light-Emitting n-Type Organic Field-Effect Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles
Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Sakanoue, Tomo; Kakita, Motoyasu; Tada, Hirokazu; Tokito, Shizuo; Yamashita, Yoshiro; Chemistry of Materials 19 (2007) 1218–; doi:10.1021/cm062889+

data_4002008
_publ_section_title
;
 High-Performance and Light-Emitting n-Type Organic Field-Effect
 Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1218
_journal_paper_doi               10.1021/cm062889+
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'C30 H16 F6 N2 S2'
_chemical_formula_weight         582.58
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.44(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   40.89(5)
_cell_length_b                   6.142(9)
_cell_length_c                   19.32(2)
_cell_measurement_reflns_used    15361
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     4772(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9808
_diffrn_measured_fraction_theta_max 0.9808
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20393
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.222
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5040
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.0076
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1137
_reflns_number_gt                3300
_reflns_number_total             5365
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cm062889%2Bsi20061206_071549.cif
_cod_data_source_block           compound3
_cod_original_cell_volume        4771(38)
_cod_original_formula_sum        'C30 H16 F6 N2 S2 '
_cod_database_code               4002008