Information card for entry 1505438

Structure parameters

• Chemical name: (R)-6-((R)-2,4-Dihydroxy-butyl)-piperidin-2-one
• Formula: C9 H17 N O3
• Calculated formula: C9 H17 N O3
• SMILES: O=C1N[C@H](CCC1)C[C@H](O)CCO.O=C1N[C@@H](CCC1)C[C@@H](O)CCO
• Title of publication: Cyclopentanone ring expansion leading to functionalized delta-lactams: short synthesis of simple sedum alkaloids.
• Authors of publication: Maio, William A.; Sinishtaj, Sandra; Posner, Gary H.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 2673 - 2676
• a: 6.16 ± 0.0014 Å
• b: 8.885 ± 0.003 Å
• c: 9.942 ± 0.003 Å
• α: 65.3 ± 0.03°
• β: 88.44 ± 0.02°
• γ: 77.37 ± 0.03°
• Cell volume: 481.1 ± 0.3 ų
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No