Information card for entry 4027168

Structure parameters

• Formula: C17 H21 N O4
• Calculated formula: C17 H21 N O4
• SMILES: C1(=O)[C@@H]([C@H]2[C@@H](C[C@@H](CN2C(=O)OCc2ccccc2)C)O1)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: 10.9764 ± 0.0017 Å
• b: 5.7842 ± 0.0009 Å
• c: 13.26 ± 0.002 Å
• α: 90°
• β: 111.283 ± 0.002°
• γ: 90°
• Cell volume: 784.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No