Information card for entry 2000253

Structure parameters

• Formula: C5 H6 O S4
• Calculated formula: C5 H6 O S4
• SMILES: CSc1c(SC)ssc1=O
• Title of publication: Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
• Authors of publication: Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 1905 - 1908
• a: 8.975 ± 0.001 Å
• b: 14.727 ± 0.001 Å
• c: 13.151 ± 0.003 Å
• α: 90°
• β: 93.46 ± 0.01°
• γ: 90°
• Cell volume: 1735.1 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No