Ambipolar, High Performance, Acene-Based Organic Thin Film Transistors
Ming L. Tang; Anna D. Reichardt; Nobuyuki Miyaki; Randall M. Stoltenberg; Zhenan Bao; Journal of the American Chemical Society 130 (2008) 6064–6065; doi:10.1021/ja8005918

data_4107767
_publ_contact_author_address
; 
Department of Chemistry and Chemical Engineering
Stanford University
381 North-South Mall,
Stanford, California 94305
;
_publ_contact_author_email       zbao@stanford.edu
_publ_contact_author_name        'Zhenan Bao'
_publ_contact_author_phone       '+1 650-723-2419'
_publ_section_title
;
 Ambipolar, High Performance, Acene-Based Organic Thin Film Transistors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6064
_journal_page_last               6065
_journal_paper_doi               10.1021/ja8005918
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C42 H48 F4 S Si2'
_chemical_formula_sum            'C42 H48 F4 S Si2'
_chemical_formula_weight         717.04
_chemical_name_systematic
;
7,8,9,10-tetrafluoro-5,12-bis(triisopropylsilylethynyl)
tetraceno[2,3-b]thiophene
;
_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                89.186(2)
_cell_angle_beta                 78.148(3)
_cell_angle_gamma                84.510(3)
_cell_formula_units_Z            1
_cell_length_a                   7.6139(4)
_cell_length_b                   7.6363(4)
_cell_length_c                   16.8065(8)
_cell_measurement_reflns_used    6929
_cell_measurement_temperature    90.0(2)
_cell_measurement_theta_max      68.29
_cell_measurement_theta_min      2.69
_cell_volume                     951.93(8)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker-AXS, 2006)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material
; 
SHELX97-2 (Sheldrick, 2008) and local procedures 
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90.0(2)
_diffrn_detector_area_resol_mean 18
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker X8 Proteum diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'graded multilayer optics'
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3467
_diffrn_reflns_theta_full        68.89
_diffrn_reflns_theta_max         68.89
_diffrn_reflns_theta_min         2.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.755
_exptl_absorpt_correction_T_max  0.9827
_exptl_absorpt_correction_T_min  0.6765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs in APEX2 (BrukerAXS, 2006)'
_exptl_crystal_colour            purple-red
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_description       flake
_exptl_crystal_F_000             380
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         3467
_refine_ls_number_restraints     423
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0866
_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^+4.6094P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2060
_refine_ls_wR_factor_ref         0.2113
_reflns_number_gt                3013
_reflns_number_total             3467
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ja8005918-file001.cif
_cod_data_source_block           x07162xs
_cod_database_code               4107767