Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.
Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko; ACS applied materials & interfaces 5 (2013) 2331–2336; doi:10.1021/am3026163

data_4507441
_publ_section_title
;
 Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene:
 Organic Semiconductors for Thermally Stable Thin-Film Transistors.
;
_journal_issue                   7
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              2331
_journal_page_last               2336
_journal_paper_doi               10.1021/am3026163
_journal_volume                  5
_journal_year                    2013
_chemical_formula_moiety         'C34 H20 S2'
_chemical_formula_sum            'C34 H20 S2'
_chemical_formula_weight         492.62
_chemical_name_common            3,10-DPhDNTT
_chemical_name_systematic
; 
3,10-DPhDNTT  
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9888(3)
_cell_length_b                   46.665(9)
_cell_length_c                   7.1800(4)
_cell_measurement_reflns_used    98
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      43.22
_cell_measurement_theta_min      2.46
_cell_volume                     2341.6(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.562
_diffrn_measured_fraction_theta_max 0.562
_diffrn_measurement_device_type  'Rigaku DSC imaging plate'
_diffrn_radiation_monochromator  Si
_diffrn_radiation_source         'SPring-8 BL08B bending magnet beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.00000
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -63
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5695
_diffrn_reflns_theta_full        43.22
_diffrn_reflns_theta_max         43.22
_diffrn_reflns_theta_min         2.46
_diffrn_standards_number         6620
_exptl_absorpt_coefficient_mu    2.222
_exptl_absorpt_correction_T_max  0.9569
_exptl_absorpt_correction_T_min  0.8083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.338
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.338
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc 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_gt          0.1608
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                1529
_reflns_number_total             1770
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am3026163_si_001.cif
_cod_data_source_block           3,10-DPhDNTT
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4507441