Information card for entry 4129330

Structure parameters

• Formula: C20 H19 N O4
• Calculated formula: C20 H19 N O4
• SMILES: O=C1N(C(=O)c2c1cccc2)C(c1ccc(c(c1)C)C)CC(=O)OC
• Title of publication: Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.
• Authors of publication: Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2480 - 2483
• a: 8.7248 ± 0.0007 Å
• b: 19.3165 ± 0.0015 Å
• c: 10.0086 ± 0.0008 Å
• α: 90°
• β: 93.949 ± 0.002°
• γ: 90°
• Cell volume: 1682.8 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No