Information card for entry 1503931

Structure parameters

• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• SMILES: O[C@@]1([C@@H](N(=O)=O)[C@@H](N(CC1)Cc1ccccc1)c1ccccc1)C.O[C@]1([C@H](N(=O)=O)[C@H](N(CC1)Cc1ccccc1)c1ccccc1)C
• 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: 5.7787 ± 0.0005 Å
• b: 10.6482 ± 0.001 Å
• c: 14.3895 ± 0.0014 Å
• α: 86.801 ± 0.002°
• β: 78.749 ± 0.002°
• γ: 78.606 ± 0.002°
• Cell volume: 851.16 ± 0.14 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: 0.0654
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No