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_4002007
_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_moiety         'C28 H14 F6 N2 S2 Se '
_chemical_formula_sum            'C28 H14 F6 N2 S2 Se'
_chemical_formula_weight         635.50
_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                 99.78(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   42.18(5)
_cell_length_b                   5.898(7)
_cell_length_c                   19.17(3)
_cell_measurement_reflns_used    16953
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     4700(11)
_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    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9753
_diffrn_measured_fraction_theta_max 0.9753
_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  0.037
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20600
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.848
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.801
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5102
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.0010
_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         0.0870
_reflns_number_gt                3650
_reflns_number_total             5281
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cm062889%2Bsi20061206_071528.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        4698(36)
_cod_original_formula_sum        'C28 H14 F6 N2 S2 Se '
_cod_database_code               4002007