Information card for entry 2004978

Structure parameters

• Formula: C9 H4 S4
• Calculated formula: C9 H4 S4
• SMILES: S=C1Sc2c(S1)c1c(s2)cccc1
• Title of publication: [1,3]Dithiolo[4,5-<i>b</i>][1]benzothiophene-2-thione
• Authors of publication: Parvez, M.; Mesher, S. T. E.; Clark, P. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1503 - 1505
• a: 23.144 ± 0.003 Å
• b: 4.036 ± 0.001 Å
• c: 20.956 ± 0.003 Å
• α: 90°
• β: 103.89 ± 0.01°
• γ: 90°
• Cell volume: 1900.2 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0569
• Goodness-of-fit parameter for significantly intense reflections: 2.856
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No