A tetrathiafulvalene vinylogue-based double-layer polymer thin film as a highly sensitive and selective TNT sensor
Shahrokhi, Farshid; Zhao, Yuming; New Journal of Chemistry 43 (2019) 5277–; doi:10.1039/C8NJ06467A

data_7058218
_publ_section_title
;
 A tetrathiafulvalene vinylogue-based double-layer polymer thin film as a
 highly sensitive and selective TNT sensor
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5277
_journal_paper_doi               10.1039/C8NJ06467A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C28 H18 O2'
_chemical_formula_sum            'C28 H18 O2'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-09 deposited with the CCDC.    2019-02-26 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.22
_cell_volume                     4027.9(5)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_exptl_absorpt_correction_type   numerical
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+0.9634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1181
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_reflns_Friedel_coverage         0.000
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_reflns_number_total             10998
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj06467a2.cif
_cod_data_source_block           farshid1_a
_cod_depositor_comments
'Adding full bibliography for 7058217--7058218.cif.'
_cod_database_code               7058218
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_shelx_estimated_absorpt_t_min   0.964
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