An asymmetric oligomer based on thienoacene for solution processed crystal organic thin-film transistors
Hongkun Tian; Yang Han; Cheng Bao; Donghang Yan; Yanhou Geng; Fosong Wang; Chem.Commun. 48 (2012) 3557–; doi:10.1039/c2cc30407d

data_7107512
_publ_section_title
;
 An asymmetric oligomer based on thienoacene for solution processed
 crystal organic thin-film transistors
;
_journal_name_full               Chem.Commun.
_journal_page_first              3557
_journal_paper_doi               10.1039/c2cc30407d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C28 H32 S4'
_chemical_formula_weight         496.78
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.309(2)
_cell_angle_beta                 91.191(2)
_cell_angle_gamma                90.093(2)
_cell_formula_units_Z            4
_cell_length_a                   5.8660(7)
_cell_length_b                   7.5451(9)
_cell_length_c                   56.721(7)
_cell_measurement_reflns_used    5645
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.73
_cell_volume                     2509.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       67
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            12251
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.394
_exptl_absorpt_correction_T_max  0.9692
_exptl_absorpt_correction_T_min  0.9011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.065
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.247
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         8584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.247
_refine_ls_R_factor_all          0.1472
_refine_ls_R_factor_gt           0.1367
_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^)+(0.0000P)^2^+52.7378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3014
_refine_ls_wR_factor_ref         0.3060
_reflns_number_gt                7249
_reflns_number_total             8584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc30407d.txt
_cod_data_source_block           v207
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7107512