n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives
Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko; ACS Applied Electronic Materials 1 (2019) 764–; doi:10.1021/acsaelm.9b00105

data_4516597
_publ_section_title
;
 n-Type Organic Field-Effect Transistors Based on Bisthienoisatin
 Derivatives
;
_journal_issue                   5
_journal_name_full               'ACS Applied Electronic Materials'
_journal_page_first              764
_journal_paper_doi               10.1021/acsaelm.9b00105
_journal_volume                  1
_journal_year                    2019
_chemical_formula_moiety         'C30 H28 N6 O2 S2'
_chemical_formula_sum            'C30 H28 N6 O2 S2'
_chemical_formula_weight         568.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.1713(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.2227(3)
_cell_length_b                   5.1146(2)
_cell_length_c                   29.4199(12)
_cell_measurement_reflns_used    3832
_cell_measurement_temperature    171
_cell_measurement_theta_max      67.36
_cell_measurement_theta_min      3.04
_cell_volume                     1370.01(9)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2.2'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL Version 2016/6 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      171
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.2727
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            13619
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        60.481
_diffrn_reflns_theta_max         60.481
_diffrn_reflns_theta_min         3.043
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.087
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             596.00
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.892
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     182
_refine_ls_number_reflns         2069
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2606
_refine_ls_R_factor_gt           0.0947
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0139P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.2128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                617
_reflns_number_total             2069
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            el9b00105_si_002.cif
_cod_data_source_block           BTICN-Hex
_cod_original_cell_volume        1369.99(9)
_cod_database_code               4516597
_shelx_res_checksum              79821
_shelx_hkl_checksum              12586