Perfluoropentacene: High-Performance p-n Junctions and Complementary Circuits with Pentacene
Youichi Sakamoto; Toshiyasu Suzuki; Masafumi Kobayashi; Yuan Gao; Yasushi Fukai; Youji Inoue; Fumio Sato; Shizuo Tokito; Journal of the American Chemical Society 126 (2004) 8138–8140; doi:10.1021/ja0476258

data_4112714
_publ_contact_author_email       toshy@ims.ac.jp
_publ_contact_author_fax         0564-59-5510
_publ_contact_author_name        'Toshiyasu Suzuki'
_publ_contact_author_phone       0564-59-5530
_publ_section_title
;
 Perfluoropentacene: High-Performance p-n Junctions and Complementary
 Circuits with Pentacene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8138
_journal_page_last               8140
_journal_paper_doi               10.1021/ja0476258
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C22 F14 '
_chemical_formula_sum            'C22 F14'
_chemical_formula_weight         530.22
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2003-10-27
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90
_cell_angle_beta                 91.567(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.51(1)
_cell_length_b                   4.490(4)
_cell_length_c                   11.449(11)
_cell_measurement_reflns_used    1805
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     797.0(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.8018
_diffrn_measured_fraction_theta_max 0.8026
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3304
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.244
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_description       platelet
_exptl_crystal_F_000             516.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1536
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0040Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                1111
_reflns_number_total             1652
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0476258si20040516_055623.cif
_cod_data_source_block           '__173K'
_cod_original_cell_volume        797.0(13)
_cod_original_formula_sum        'C22 F14 '
_cod_database_code               4112714