Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.
Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung; ACS applied materials & interfaces 11 (2019) 21756–21765; doi:10.1021/acsami.9b04284

data_4514456
_publ_section_title
;
 Influences of Structural Modification of S, N-Hexacenes on the Morphology
 and OFET Characteristics.
;
_journal_issue                   24
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              21756
_journal_page_last               21765
_journal_paper_doi               10.1021/acsami.9b04284
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C30 H38 N2 S4'
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_computing_cell_refinement
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_collection
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_reduction
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
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_computing_publication_material  SHELXTL
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_exptl_absorpt_coefficient_mu    3.103
_exptl_absorpt_correction_T_max  1.00000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_description       plate
_exptl_crystal_F_000             592
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_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.437
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         2669
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.1518
_refine_ls_R_factor_gt           0.1128
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1687P)^2^+0.3696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2911
_refine_ls_wR_factor_ref         0.3379
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1566
_reflns_number_total             2669
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am9b04284_si_004.cif
_cod_data_source_block           ic16235
_cod_database_code               4514456
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              54682
_shelx_hkl_checksum              10602