High-performance organic field-effect transistors based on dihexyl-substituted dibenzo[d,d′]thieno[3,2-b;4,5-b′]dithiophene
Miyata, Yasuo; Yoshikawa, Eiji; Minari, Takeo; Tsukagoshi, Kazuhito; Yamaguchi, Shigehiro; Journal of Materials Chemistry 22 (2012) 7715–; doi:10.1039/c2jm30840a

data_7207717
_publ_section_title
;
 High-performance organic field-effect transistors based on
 dihexyl-substituted
 dibenzo[d,d&#x2032;]thieno[3,2-b;4,5-b&#x2032;]dithiophene
;
_journal_issue                   16
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              7715
_journal_paper_doi               10.1039/c2jm30840a
_journal_volume                  22
_journal_year                    2012
_chemical_formula_moiety         'C28 H32 S3'
_chemical_formula_sum            'C28 H32 S3'
_chemical_formula_weight         464.72
_chemical_name_common            '_C6-DBTDT'
_chemical_name_systematic
;
_C6-DBTDT
;
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.12(3)
_cell_length_b                   11.09(11)
_cell_length_c                   52.8(6)
_cell_measurement_reflns_used    907
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      0.7810
_cell_volume                     2412(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.469
_diffrn_measured_fraction_theta_max 0.469
_diffrn_measurement_device_type
;
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'RIGAKU VariMax'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1283
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            2284
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.321
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         999
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.454
_refine_ls_R_factor_all          0.1328
_refine_ls_R_factor_gt           0.1186
_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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3177
_refine_ls_wR_factor_ref         0.3325
_reflns_number_gt                874
_reflns_number_total             999
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2jm30840a.txt
_cod_data_source_block           C6-DBTDT
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2412(39)
_cod_original_sg_symbol_H-M      Pbcm
_cod_database_code               7207717
_saturn70                        (4x4