Pyromellitic dithioimides: thionation improves air-stability and electron mobility of N-type organic field-effect transistors
Te-Fang Yang; Sheng-Han Huang; Yi-Pang Chiu; Bo-Hsiang Chen; Yu-Wei Shih; Yu-Chang Chang; Jie-Yi Yao; Yao-Jen Lee; Ming-Yu Kuo; Chem.Commun. 51 (2015) 13772–; doi:10.1039/C5cc04674B

data_7117697
_publ_section_title
;
 Pyromellitic dithioimides: thionation improves air-stability and electron
 mobility of N-type organic field-effect transistors
;
_journal_name_full               Chem.Commun.
_journal_page_first              13772
_journal_paper_doi               10.1039/C5cc04674B
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C26 H36 N2 S4'
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_chemical_name_systematic        PyDTI-C8
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-06-06 deposited with the CCDC.
2015-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                81.405(2)
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_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
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_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            'Dark Red'
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_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Columnar
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_exptl_crystal_recrystallization_method 'solvent diffusion'
_exptl_crystal_size_max          0.20
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_refine_ls_shift/su_max          0.001
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0273P)^2^+0.1606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0785
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2279
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc04674b2.cif
_cod_data_source_block           twin5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3392 2015-05-12 13:50:21Z andrius 
;
_cod_database_code               7117697
_shelxl_version_number           2014/6
_shelx_res_checksum              15401
_shelx_hkl_checksum              77358