Information card for entry 2221705

Structure parameters

• Chemical name: 5-Isopropylidene-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiole-2-thione
• Formula: C7 H6 S5
• Calculated formula: C7 H6 S5
• SMILES: S1C(=S)SC2SC(SC1=2)=C(C)C
• Title of publication: 5-Isopropylidene-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiole-2-thione
• Authors of publication: Tomura, Masaaki; Yamashita, Yoshiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1050
• a: 7.082 ± 0.006 Å
• b: 7.126 ± 0.006 Å
• c: 10.534 ± 0.01 Å
• α: 86.12 ± 0.03°
• β: 84.77 ± 0.03°
• γ: 71.95 ± 0.02°
• Cell volume: 502.9 ± 0.8 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2173
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes