Synthesis of dithiafulvene–quinone donor–acceptor systems: isolation of a Michael adduct
Lissau, Henriette; Jevric, Martyn; Madsen, Anders Østergaard; Nielsen, Mogens Brøndsted; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S2053229615008578

data_2019935
_publ_section_title
;
 Synthesis of dithiafulvene--quinone donor--acceptor systems: isolation of
 a Michael adduct
;
_journal_coeditor_code           CU3076
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615008578
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C13 H10 O6 S2'
_chemical_formula_moiety         'C13 H10 O6 S2'
_chemical_formula_sum            'C13 H10 O6 S2'
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_chemical_name_systematic
;Dimethyl
2-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2<i>H</i>-1,3-dithiole-4,5-dicarboxylate
;
_space_group_crystal_system      orthorhombic
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Olex2 1.2
(compiled 2015.01.12 svn.r3133 for OlexSys, GUI svn.r4987)
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_computing_cell_refinement
;
<i>APEX2</i> (Bruker, 2008)
;
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<i>APEX2</i> (Bruker, 2008)
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<i>SAINT</i> (Bruker, 2008)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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olex2.refine (Bourhis <i>et al.</i>,  2015)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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;
(SADABS; Bruker, 2001)
;
_exptl_crystal_colour            Purple
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Flack (1983), 1135 Friedel pairs
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'w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+0.0555P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cu3076sup1.cif
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_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-31
;
_cod_database_code               2019935
_cod_database_fobs_code          2019935