High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs
Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil; Chemistry of Materials 31 (2019) 5254–; doi:10.1021/acs.chemmater.9b01614

data_4003018
_publ_section_title
;
 High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based
 Field-Effect Transistors: Toward n-Type BTBTs
;
_journal_issue                   14
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5254
_journal_paper_doi               10.1021/acs.chemmater.9b01614
_journal_volume                  31
_journal_year                    2019
_chemical_formula_moiety         'C28 H6 F10 O2 S2'
_chemical_formula_sum            'C28 H6 F10 O2 S2'
_chemical_formula_weight         628.45
_chemical_name_common            'Organic compound'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 96.283(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   43.611(3)
_cell_length_b                   7.3973(5)
_cell_length_c                   7.1455(5)
_cell_measurement_reflns_used    123
_cell_measurement_temperature    293.(2)
_cell_measurement_theta_max      21.5479
_cell_measurement_theta_min      0.9397
_cell_volume                     2291.3(3)
_computing_cell_refinement       'APEX2 v2014.9-0 (Bruker AXS)'
_computing_data_collection
'Bruker Instrument Service v2013.12.0.0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2006)'
_computing_publication_material
'PLATON V1.16 (Spek, 2009), SHELXTL V6.14 (Bruker AXS)'
_computing_structure_refinement  'SHELXTL V6.14 (Bruker AXS)'
_computing_structure_solution    'SHELXTL V6.14 (Bruker AXS)'
_diffrn_ambient_temperature      293.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayer QUAZAR mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1291
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            16026
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.09
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_type              ImuS
_exptl_absorpt_coefficient_mu    0.344
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS)'
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.276
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2027
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+3.0227P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                1700
_reflns_number_total             2027
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm9b01614_si_002.cif
_cod_data_source_block           I
_cod_database_code               4003018
_shelx_res_checksum              94477
_shelx_hkl_checksum              67901