Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure–Property Relationship
Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo; Chemistry of Materials 27 (2015) 5049–; doi:10.1021/acs.chemmater.5b01608

data_4003158
_publ_section_title
;
 Thermally, Operationally, and Environmentally Stable Organic Thin-Film
 Transistors Based on
 Bis[1]benzothieno[2,3-d:2&#x2032;,3&#x2032;-d&#x2032;]naphtho[2,3-b:6,7-b&#x2032;]dithiophene
 Derivatives: Effective Synthesis, Electronic Structures, and
 Structure--Property Relationship
;
_journal_issue                   14
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5049
_journal_paper_doi               10.1021/acs.chemmater.5b01608
_journal_volume                  27
_journal_year                    2015
_chemical_formula_moiety         'C38 H20 S4'
_chemical_formula_sum            'C38 H20 S4'
_chemical_formula_weight         604.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 94.509(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.1280(15)
_cell_length_b                   7.5805(19)
_cell_length_c                   28.009(7)
_cell_measurement_temperature    100(2)
_cell_volume                     1297.1(6)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku MercuryCCD2'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'Si 311'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6997
_diffrn_reflns_av_R_equivalents  0.1123
_diffrn_reflns_av_unetI/netI     0.1054
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            12011
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.823
_diffrn_reflns_theta_max         27.017
_diffrn_reflns_theta_min         0.718
_exptl_absorpt_coefficient_mu    0.394
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
PROCESS-AUTO (1998). Automatic Data Acquisition and Processing Package
for Imaging Plate Diffractometer. Rigaku Corporation, Tokyo, Japan. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.003
_refine_diff_density_max         1.253
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2951
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.1377
_refine_ls_R_factor_gt           0.0803
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2287
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1722
_reflns_number_total             2951
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm5b01608_si_002.cif
_cod_data_source_block           shelx
_cod_database_code               4003158
_shelxl_version_number           2014-1
_shelx_res_checksum              61683
_shelx_hkl_checksum              76115