2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor
Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo; Journal of the American Chemical Society 128 (2006) 3044–3050; doi:10.1021/ja057641k

data_4110434
_publ_contact_author_address
;
Department of Applied Chemistry, 
Graduate School of Engineering, 
Hiroshima University, Kagamiyama,
739-8527 Japan
;
_publ_contact_author_email       ' ktakimi@hiroshima-u.ac.jp '
_publ_contact_author_fax         ' +81-82-424-5494 '
_publ_contact_author_name        ' Kazuo Takimiya'
_publ_contact_author_phone       ' +81-82-424-7734 '
_publ_section_title
;
 2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable
 Organic Semiconductor for a High-Performance Field-Effect Transistor
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3044
_journal_page_last               3050
_journal_paper_doi               10.1021/ja057641k
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C26 H16 Se2 '
_chemical_formula_sum            'C26 H16 Se2'
_chemical_formula_weight         486.30
_chemical_melting_point_gt       573
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.008(7)
_cell_length_b                   8.400(4)
_cell_length_c                   7.701(3)
_cell_measurement_reflns_used    12
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      17.1
_cell_measurement_theta_min      15.1
_cell_volume                     1941.2(13)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9967
_diffrn_measured_fraction_theta_max 0.9967
_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  0.035
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3675
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.73
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.819
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.658
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_description       plate
_exptl_crystal_F_000             944.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.52
_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   0.890
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1009
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.0000
_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         0.1689
_reflns_number_gt                1009
_reflns_number_total             2221
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja057641ksi20051109_070049_1.cif
_cod_data_source_block           DPh-BSBS_1b
_cod_original_cell_volume        1940(2)
_cod_original_formula_sum        'C26 H16 Se2 '
_cod_database_code               4110434