Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur.
Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak; Physical chemistry chemical physics : PCCP 25 (2023) 19427–19434; doi:10.1039/d3cp02526h

data_7246963
_publ_section_title
;
 Quantitative evaluation of the electronic features involving
 "nucleophilic-electrophilic" character in the chalcogen sulfur.
;
_journal_issue                   29
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              19427
_journal_page_last               19434
_journal_paper_doi               10.1039/d3cp02526h
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C8 H4 F3 N S'
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Olex2 1.5
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_audit_update_record
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2023-05-31 deposited with the CCDC.	2023-06-30 downloaded from the CCDC.
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0333P)^2^+0.3268P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7246960--7246964.cif.'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6)
;
_shelx_res_checksum              65338
_olex2_submission_special_instructions 'No special instructions were received'