Information card for entry 1553933

Structure parameters

• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: [C@H]12CCC(=O)N1CC[C@@H](CC(=O)C)O2.[C@@H]12CCC(=O)N1CC[C@H](CC(=O)C)O2
• Title of publication: Highly diastereoselective access to polyfunctionalized 1,3-oxazines promoted by Brønsted/Lewis acids
• Authors of publication: Peter, Clovis; Geoffroy, Philippe; Miesch, Michel
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 566
• a: 9.9528 ± 0.001 Å
• b: 5.6608 ± 0.0006 Å
• c: 10.1737 ± 0.0008 Å
• α: 90°
• β: 119.444 ± 0.007°
• γ: 90°
• Cell volume: 499.16 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No