Information card for entry 7108657

Structure parameters

• Formula: C18 H16 N2 O3
• Calculated formula: C18 H16 N2 O3
• Title of publication: Synthesis and asymmetric hydrogenation of (3E)-1-benzyl-3-[(2-oxopyridin-1(2H)-yl)methylidene]piperidine-2,6-dione
• Authors of publication: Alexander A. Bisset; Akira Shiibashi; Jasmine L. Desmond; Allan Dishington; Teyrnon Jones; Guy J. Clarkson; Takao Ikariya; Martin Wills
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11978
• a: 14.0338 ± 0.0005 Å
• b: 8.3474 ± 0.0003 Å
• c: 13.1017 ± 0.0003 Å
• α: 90°
• β: 96.381 ± 0.002°
• γ: 90°
• Cell volume: 1525.3 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No