Largely π-extended thienoacenes with internal thieno[3,2-b]thiophene substructures: synthesis, characterization, and organic field-effect transistor applications.
Yamamoto, Tatsuya; Nishimura, Takeshi; Mori, Takamichi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Organic letters 14 (2012) 4914–4917; doi:10.1021/ol302243t

data_1508658
_publ_section_title
;
 Largely \p-extended thienoacenes with internal thieno[3,2-b]thiophene
 substructures: synthesis, characterization, and organic field-effect
 transistor applications.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4914
_journal_page_last               4917
_journal_paper_doi               10.1021/ol302243t
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C22 H10 S4'
_chemical_formula_sum            'C22 H10 S4'
_chemical_formula_weight         402.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Tue Jul  9 08:28:01 2030'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90.000(3)
_cell_angle_beta                 104.608(3)
_cell_angle_gamma                90.000(3)
_cell_formula_units_Z            2
_cell_length_a                   18.30(2)
_cell_length_b                   3.974(5)
_cell_length_c                   11.70(2)
_cell_measurement_reflns_used    1489
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     823(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9798
_diffrn_measured_fraction_theta_max 0.9798
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.108
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5900
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_size_max          0.800
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_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.84
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1650
_refine_ls_R_factor_gt           0.0878
_refine_ls_shift/su_max          0.0011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
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