Electronegative oligothiophenes based on difluorodioxocyclopentene-annelated thiophenes: synthesis, properties, and n-type FET performances.
Ie, Yutaka; Umemoto, Yoshikazu; Okabe, Makoto; Kusunoki, Takahiro; Nakayama, Ken-ichi; Pu, Yong-Jin; Kido, Junji; Tada, Hirokazu; Aso, Yoshio; Organic letters 10 (2008) 833–836; doi:10.1021/ol7029678

data_1504536
_publ_section_title
;
 Electronegative oligothiophenes based on
 difluorodioxocyclopentene-annelated thiophenes: synthesis, properties,
 and n-type FET performances.
;
_journal_issue                   5
_journal_name_full               'Organic letters'
_journal_page_first              833
_journal_page_last               836
_journal_paper_doi               10.1021/ol7029678
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C21 H2 F6 O6 S3 '
_chemical_formula_sum            'C21 H2 F6 O6 S3'
_chemical_formula_weight         560.41
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 113.503(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            12
_cell_length_a                   29.607(2)
_cell_length_b                   13.3040(10)
_cell_length_c                   17.5390(12)
_cell_measurement_reflns_used    8419
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      68.3
_cell_measurement_theta_min      3.3
_cell_volume                     6335.3(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.105
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34060
_diffrn_reflns_theta_full        68.25
_diffrn_reflns_theta_max         68.25
_exptl_absorpt_coefficient_mu    4.094
_exptl_absorpt_correction_T_max  0.815
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3336.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.13
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.953
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     491
_refine_ls_number_reflns         4051
_refine_ls_R_factor_gt           0.0795
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1713
_reflns_number_gt                3312
_reflns_number_total             5736
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol7029678-file005.cif
_cod_data_source_block           '_YU79292'
_cod_original_formula_sum        'C21 H2 F6 O6 S3 '
_cod_database_code               1504536