2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors
Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo; Journal of the American Chemical Society 127 (2005) 3605–3612; doi:10.1021/ja043429p

data_4111516
_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         ' +81-82-424-7734 '
_publ_contact_author_name        ' Kazuo Takimiya'
_publ_contact_author_phone       ' 81-82-424-5494 '
_publ_section_title
;
 2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance
 Semiconductors for Organic Field-Effect Transistors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3605
_journal_page_last               3612
_journal_paper_doi               10.1021/ja043429p
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C24 H14 S2 '
_chemical_formula_sum            'C24 H14 S2'
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_chemical_melting_point          537(1)
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_symmetry_space_group_name_H-M   'P b c a'
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_cell_length_b                   8.1884(1)
_cell_length_c                   28.6857(5)
_cell_measurement_reflns_used    20899
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.1
_cell_volume                     1727.10(4)
_computing_cell_refinement       PROCESS-AUTO
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_computing_molecular_graphics    ORTEP3
_computing_publication_material  'teXsan Ver. 1.11'
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_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9862
_diffrn_measured_fraction_theta_max 0.9862
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
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_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.70
_refine_ls_extinction_coef       0.0308
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    refxyz
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_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
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_reflns_number_gt                1651
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_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja043429psi20041030_013238_2.cif
_cod_data_source_block           DPh-NDT_4
_cod_original_cell_volume        1727.10(5)
_cod_original_formula_sum        'C24 H14 S2 '
_cod_database_code               4111516