Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate
Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622009469

data_2022689
_publ_section_title
;
 Quantitative insights into noncovalent interactions involving halogen and
 tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate
;
_journal_coeditor_code           QZ3001
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622009469
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C8 H11 O +, B F4 -'
_chemical_formula_moiety         'C8 H11 O +, B F4 -'
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_chemical_name_systematic
;
2,4,6-Trimethylpyrylium tetrafluoroborate
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2n'
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Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
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SAINT (Bruker, 2015)
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2015)
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OLEX2 (Dolomanov <i>et al.</i>, 2009) and
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OLEX2 (Dolomanov <i>et al.</i>, 2009), <i>PARST</i> (Nardelli,
1995)
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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SHELXT2014 (Sheldrick, 2015<i>a</i>)
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;
(SADABS; Bruker, 2014)
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_refine_ls_shift/su_mean         0.000
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'w=1/[\s^2^(Fo^2^)+(0.0398P)^2^+0.3609P] where P=(Fo^2^+2Fc^2^)/3'
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