Information card for entry 1519169

Structure parameters

• Formula: C17 H10 S5
• Calculated formula: C17 H10 S5
• SMILES: S=C1SC2SC(=C(SC=2S1)c1ccccc1)c1ccccc1
• Title of publication: C17H10S5
• Authors of publication: Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1996
• Pages of publication: 763
• a: 14.6453 ± 0.0015 Å
• b: 5.8392 ± 0.0007 Å
• c: 19.602 ± 0.002 Å
• α: 90°
• β: 99.978 ± 0.007°
• γ: 90°
• Cell volume: 1650.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.0882
• Goodness-of-fit parameter for all reflections: 0.859
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No