Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s
Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson; Journal of the American Chemical Society 127 (2005) 4986–4987; doi:10.1021/ja042353u

data_4111606
_publ_section_title
;
 Organic Field-Effect Transistors from Solution-Deposited Functionalized
 Acenes with Mobilities as High as 1 cm2/V.s
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4986
_journal_page_last               4987
_journal_paper_doi               10.1021/ja042353u
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C28 H26 S2 Si2'
_chemical_formula_weight         482.79
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 114.2210(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4570(2)
_cell_length_b                   10.5100(2)
_cell_length_c                   12.4180(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1244.63(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5491
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.325
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_F_000             508
_refine_diff_density_max         0.301
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2851
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.134
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+0.3538P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                2171
_reflns_number_total             2851
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja042353usi20041220_104655_1.cif
_cod_data_source_block           k04155
_cod_database_code               4111606