Information card for entry 2004876

Structure parameters

• Formula: C12 H14 S5
• Calculated formula: C12 H14 S5
• SMILES: CSc1ccc2c(c1SC)sc(c2SC)SC
• Title of publication: 2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene
• 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: 5
• Pages of publication: 1248 - 1250
• a: 13.131 ± 0.003 Å
• b: 7.541 ± 0.001 Å
• c: 14.758 ± 0.003 Å
• α: 90°
• β: 96.03 ± 0.02°
• γ: 90°
• Cell volume: 1453.3 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for significantly intense reflections: 2.838
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No