Information card for entry 4027163

Structure parameters

• Formula: C17 H25 N O3 S
• Calculated formula: C17 H25 N O3 S
• SMILES: S(=O)(=O)(N1C[C@H](C[C@@H](O)[C@@H]1[C@H](C)C=C)C)c1ccc(cc1)C
• Title of publication: A Piperidine Chiron for the Veratrum Alkaloids
• Authors of publication: Douglass F. Taber; Peter W. DeMatteo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 4235 - 4241
• a: 9.254 ± 0.003 Å
• b: 13.146 ± 0.004 Å
• c: 14.214 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.2 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No