Information card for entry 7152412

Structure parameters

• Formula: C20 H30 Cl2 N2 O2
• Calculated formula: C20 H30 Cl2 N2 O2
• SMILES: c1(ccccc1)C[NH2+][C@H]1[C@@H](C[NH+](CC1)Cc1ccccc1)O.[Cl-].[Cl-].OC
• Title of publication: Synthetic approaches to a chiral 4-amino-3-hydroxy piperidine with pharmaceutical relevance.
• Authors of publication: Ortiz, Adrian; Young, Ian S.; Sawyer, James R.; Hsiao, Yi; Singh, Amarjit; Sugiyama, Masano; Corbett, R. Michael; Chau, Melissa; Shi, Zhongping; Conlon, David A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 5253 - 5257
• a: 5.7182 ± 0.0003 Å
• b: 12.0175 ± 0.0007 Å
• c: 30.1828 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2074.1 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No