2,6-Dialkylbenzo[1,2-b:4,5-b′]dithiophenes (Cn-BDTs) as Soluble Organic Semiconductors for Solution-processed Organic Field-effect Transistors
Kashiki, Tomoya; Miyazaki, Eigo; Takimiya, Kazuo; Chemistry Letters 37 (2008) 284–; doi:10.1246/cl.2008.284

data_8000182
_publ_section_title
;
 2,6-Dialkylbenzo[1,2-b:4,5-b&#x2032;]dithiophenes (Cn-BDTs) as Soluble
 Organic Semiconductors for Solution-processed Organic Field-effect
 Transistors
;
_journal_issue                   3
_journal_name_full               'Chemistry Letters'
_journal_page_first              284
_journal_paper_doi               10.1246/cl.2008.284
_journal_volume                  37
_journal_year                    2008
_chemical_formula_moiety         'C34 H54 S2 '
_chemical_formula_sum            'C34 H54 S2'
_chemical_formula_weight         526.92
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed Jul 26 01:15:31 2028'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                85.15(1)
_cell_angle_beta                 88.81(2)
_cell_angle_gamma                82.03(1)
_cell_formula_units_Z            1
_cell_length_a                   4.187(2)
_cell_length_b                   5.900(3)
_cell_length_c                   31.80(1)
_cell_measurement_reflns_used    5810
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     775.2(6)
_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 1.0020
_diffrn_measured_fraction_theta_max 1.0020
_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  0.079
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            6923
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.603
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1191
_refine_ls_R_factor_gt           0.0952
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2052
_reflns_number_gt                1191
_reflns_number_total             3525
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            37-284sup1.cif
_cod_data_source_block           C12-BDT
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C34 H54 S2 '
_cod_database_code               8000182