Information card for entry 1503936

Structure parameters

• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: O=N(=O)[C@H]1[C@@H](N(CC[C@]1(O)C)[C@@H](C)c1ccc(OC)cc1)c1ccccc1
• Title of publication: One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.
• Authors of publication: Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2333 - 2336
• a: 8.1499 ± 0.0005 Å
• b: 11.39 ± 0.0007 Å
• c: 21.5007 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1995.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No