Air-Stable n-Type Organic Field-Effect Transistors Based on 4,9-Dihydro-s-indaceno[1,2-b:5,6-b′]dithiazole-4,9-dione Unit
Ie, Yutaka; Ueta, Masashi; Nitani, Masashi; Tohnai, Norimitsu; Miyata, Mikiji; Tada, Hirokazu; Aso, Yoshio; Chemistry of Materials 24 (2012) 3285–; doi:10.1021/cm301985q

data_4001672
_publ_section_title
;
 Air-Stable n-Type Organic Field-Effect Transistors Based on
 4,9-Dihydro-s-indaceno[1,2-b:5,6-b&#x2032;]dithiazole-4,9-dione Unit
;
_journal_issue                   16
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3285
_journal_paper_doi               10.1021/cm301985q
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'C30 H10 F6 N2 O4 S2'
_chemical_formula_weight         640.54
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.002(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   13.4677(11)
_cell_length_b                   4.7775(3)
_cell_length_c                   18.7642(16)
_cell_measurement_temperature    296
_cell_volume                     1204.38(16)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Superflip (Palatinus, et al., 2007)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.863
_diffrn_measured_fraction_theta_max 0.863
_diffrn_radiation_wavelength     0.80000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2455
_diffrn_reflns_theta_full        31.63
_diffrn_reflns_theta_max         31.63
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            NONE
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NONE
_exptl_crystal_F_000             644.00
_exptl_crystal_size_max          0.000
_exptl_crystal_size_mid          0.000
_exptl_crystal_size_min          0.000
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.620
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2455
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0784
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1629P)^2^+0.7535P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2401
_reflns_number_gt                2016
_reflns_number_total             2455
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cm301985q_si_002.cif
_cod_data_source_block           Template_texray.inf
_cod_original_cell_volume        1204.38(17)
_cod_database_code               4001672