Information card for entry 2004803

Structure parameters

• Formula: C17 H15 N O S3
• Calculated formula: C17 H15 N O S3
• SMILES: S(C(CC(=O)c1sccc1)c1sccc1)c1c(N)cccc1
• Title of publication: 2-(2-Aminophénylthio)-2-(2-thiényl)éthyl 2-Thiényl Cétone
• Authors of publication: Morgant, G.; Labouze, X.; Viossat, B.; Lancelot, J.-C.; Nguyen Huy Dung
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 923 - 925
• a: 11.513 ± 0.002 Å
• b: 9.806 ± 0.003 Å
• c: 14.78 ± 0.004 Å
• α: 90°
• β: 91.9 ± 0.02°
• γ: 90°
• Cell volume: 1667.7 ± 0.7 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• 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: 0.047
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No