Diazaboroles with quinone units: hydrogen bonding network and n-type FETs involving a three-coordinate boron atom
Nishida, Jun-ichi; Fujita, Tomohiro; Fujisaki, Yoshihide; Tokito, Shizuo; Yamashita, Yoshiro; Journal of Materials Chemistry 21 (2011) 16442–; doi:10.1039/c1jm12650d

data_7206773
_publ_section_title
;
 Diazaboroles with quinone units: hydrogen bonding network and n-type FETs
 involving a three-coordinate boron atom
;
_journal_issue                   41
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              16442
_journal_paper_doi               10.1039/c1jm12650d
_journal_volume                  21
_journal_year                    2011
_chemical_formula_moiety         'C17 H10 B F3 N2 O2 '
_chemical_formula_sum            'C17 H10 B F3 N2 O2'
_chemical_formula_weight         342.08
_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                101.835(6)
_cell_angle_beta                 94.236(7)
_cell_angle_gamma                93.967(6)
_cell_formula_units_Z            2
_cell_length_a                   5.5337(12)
_cell_length_b                   7.9622(19)
_cell_length_c                   16.321(3)
_cell_measurement_reflns_used    5644
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.8
_cell_measurement_theta_min      3.2
_cell_volume                     699.3(3)
_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_ambient_temperature      93.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.049
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6507
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.133
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             348.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.70
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3115
_refine_ls_R_factor_gt           0.1265
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0872P)^2^+9.5949P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3359
_reflns_number_gt                2223
_reflns_number_total             3115
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1jm12650d.txt
_cod_data_source_block           comp1a
_cod_original_formula_sum        'C17 H10 B F3 N2 O2 '
_cod_database_code               7206773