Facile Synthesis of Highly π-Extended Heteroarenes, Dinaphtho[2,3-b:2',3'-f]chalcogenopheno[3,2-b]chalcogenophenes, and Their Application to Field-Effect Transistors
Tatsuya Yamamoto; Kazuo Takimiya; Journal of the American Chemical Society 129 (2007) 2224–2225; doi:10.1021/ja068429z

data_4109126
_publ_contact_author
;
Kazuo Takimiya
Depertment of applied chemistry
Guraduate School of engineering
Hiroshima University
Higashi-Hiroshima 739-8527
japan                                          
;
_publ_contact_author_email       ktakimi@hiroshima-u.ac.jp
_publ_contact_author_fax         +81-82-424-5494
_publ_contact_author_phone       +81-82-424-7734
_publ_section_title
;
 Facile Synthesis of Highly \p-Extended Heteroarenes,
 Dinaphtho[2,3-b:2',3'-f]chalcogenopheno[3,2-b]chalcogenophenes, and Their
 Application to Field-Effect Transistors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2224
_journal_page_last               2225
_journal_paper_doi               10.1021/ja068429z
_journal_volume                  129
_journal_year                    2007
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C22 H12 S2'
_chemical_formula_sum            'C22 H12 S2'
_chemical_formula_weight         340.46
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2006-06-12
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 92.49(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.187(4)
_cell_length_b                   7.662(6)
_cell_length_c                   16.21(1)
_cell_measurement_reflns_used    5131
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     767.7(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9661
_diffrn_measured_fraction_theta_max 0.9661
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7047
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.345
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
    HIGASHI, T. (1995). Abscor - empirical Absorption Correction based on
    Fourier Series Approximation. Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       platelet
_exptl_crystal_F_000             352.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.86
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1545 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.3(1)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3374
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                2123
_reflns_number_total             3374
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja068429zsi20061124_124826.cif
_cod_data_source_block           DNTT
_cod_original_formula_sum        'C22 H12 S2 '
_cod_database_code               4109126