Information card for entry 1503935

Structure parameters

• Formula: C18 H26 N2 O5
• Calculated formula: C18 H26 N2 O5
• SMILES: O=N(=O)[C@H]1[C@@H](N(CC[C@@]1(O)C)[C@H](C(C)C)C(=O)OC)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: 13.1001 ± 0.001 Å
• b: 10.7849 ± 0.0008 Å
• c: 13.7862 ± 0.0011 Å
• α: 90°
• β: 93.266 ± 0.001°
• γ: 90°
• Cell volume: 1944.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No