Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide
Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P.; Acta Crystallographica Section E 75 (2019) 576–579; doi:10.1107/S2056989019004407

data_2242890
_publ_section_title
;
 Comparison of the C---H&#x00B7;&#x00B7;&#x00B7;O bonding in two
 crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide
;
_journal_coeditor_code           JJ2210
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              576
_journal_page_last               579
_journal_paper_doi               10.1107/S2056989019004407
_journal_volume                  75
_journal_year                    2019
_chemical_formula_moiety         'C4 H8 O4 S2'
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_chemical_name_systematic
;
1,4-Dithiane 1,1,4,4-tetraoxide
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
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Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
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SAINT (Bruker, 2016)
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2016)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009), Crystalmaker (Palmer,
2014)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009) and publCIF (Westrip, 2010)
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ShelXL (Sheldrick, 2015)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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;
(SADABS; Krause <i>et al.</i>,  2015)
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'w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.2882P] where P=(Fo^2^+2Fc^2^)/3'
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