2,6-Diphenylbenzo[1,2-b:4,5-b']dichalcogenophenes: A New Class of High-Performance Semiconductors for Organic Field-Effect Transistors
Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Naoto Niihara; Tetsuo Otsubo; Journal of the American Chemical Society 126 (2004) 5084–5085; doi:10.1021/ja0496930

data_4112506
_publ_contact_author_email       ' ktakimi@hiroshima-u.ac.jp '
_publ_contact_author_fax         ' +81-824-24-7734 '
_publ_contact_author_name        ' Kazuo takimiya'
_publ_contact_author_phone       ' 81-824-24-5494 '
_publ_section_title
;
 2,6-Diphenylbenzo[1,2-b:4,5-b']dichalcogenophenes: A New Class of
 High-Performance Semiconductors for Organic Field-Effect Transistors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5084
_journal_page_last               5085
_journal_paper_doi               10.1021/ja0496930
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C22 H14 Se2 '
_chemical_formula_sum            'C22 H14 Se2'
_chemical_formula_weight         436.27
_chemical_melting_point_gt       573
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Oct  20 21:36:16 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 92.92(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.836(5)
_cell_length_b                   7.619(1)
_cell_length_c                   5.8860(8)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      17.4
_cell_measurement_theta_min      15.1
_cell_volume                     1649.8(4)
_computing_cell_refinement       AFC
_computing_data_collection       AFC
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.093
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
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_diffrn_reflns_number            4835
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_diffrn_standards_decay_%        0.96
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.482
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.22
_refine_diff_density_min         -0.88
_refine_ls_extinction_coef       0.0001
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     218
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_refine_ls_R_factor_gt           0.0708
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2445
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_reflns_number_total             3791
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja0496930si20040116_065833.cif
_cod_data_source_block           DPh-BDS_2
_cod_original_formula_sum        'C22 H14 Se2 '
_cod_database_code               4112506