Information card for entry 4028619

Structure parameters

• Formula: C12 H20 N2 S3
• Calculated formula: C12 H20 N2 S3
• Title of publication: A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties
• Authors of publication: Brandon Djukic; Alan J. Lough; Dwight S. Seferos
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 9340 - 9344
• a: 8.4971 ± 0.0012 Å
• b: 15.548 ± 0.002 Å
• c: 22.387 ± 0.003 Å
• α: 90°
• β: 100.734 ± 0.003°
• γ: 90°
• Cell volume: 2905.9 ± 0.7 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 4
• 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: 0.0946
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No