Information card for entry 7155922

Structure parameters

• Chemical name: (2S,3R,4S,5R)-3-hydroxy-4,5-O-(1-methylethylidene)-2-methyl-piperidine
• Formula: C9 H17 N O3
• Calculated formula: C9 H17 N O3
• SMILES: N1[C@H]([C@@H](O)[C@@H]2OC(O[C@@H]2C1)(C)C)C
• Title of publication: Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route
• Authors of publication: Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 5.5 ± 0.0002 Å
• b: 9.816 ± 0.0003 Å
• c: 18.586 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1003.42 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No