Information card for entry 1503939

Structure parameters

• Formula: C20 H23 N3 O5
• Calculated formula: C20 H23 N3 O5
• SMILES: O=N(=O)[C@@H]1[C@H](N(CC[C@@]1(O)C)[C@@H](C)c1ccc(N(=O)=O)cc1)c1ccccc1.O=N(=O)[C@H]1[C@@H](N(CC[C@]1(O)C)[C@H](C)c1ccc(N(=O)=O)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: 8.266 ± 0.001 Å
• b: 8.6189 ± 0.001 Å
• c: 13.5928 ± 0.0017 Å
• α: 90.56 ± 0.002°
• β: 92.301 ± 0.002°
• γ: 97.502 ± 0.002°
• Cell volume: 959.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0704
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No