Novel semiconducting quinone for air-stable n-type organic field-effect transistors.
Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro; ACS applied materials & interfaces 2 (2010) 1303–1307; doi:10.1021/am1001794

data_4510952
_publ_section_title
;
 Novel semiconducting quinone for air-stable n-type organic field-effect
 transistors.
;
_journal_issue                   5
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              1303
_journal_page_last               1307
_journal_paper_doi               10.1021/am1001794
_journal_volume                  2
_journal_year                    2010
_chemical_formula_moiety         'C30 H12 F6 N2 O2 S4 '
_chemical_formula_sum            'C30 H12 F6 N2 O2 S4'
_chemical_formula_weight         674.67
_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'
_cell_angle_alpha                77.613(4)
_cell_angle_beta                 81.666(5)
_cell_angle_gamma                67.213(5)
_cell_formula_units_Z            1
_cell_length_a                   6.4637(13)
_cell_length_b                   7.6560(15)
_cell_length_c                   14.491(3)
_cell_measurement_reflns_used    2779
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     644.2(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.115
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5568
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.449
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             340.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2860
_refine_ls_R_factor_gt           0.0966
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0991P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2540
_reflns_number_gt                1152
_reflns_number_total             2860
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            am1001794_si_002.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C30 H12 F6 N2 O2 S4 '
_cod_database_code               4510952