Information card for entry 7155129

Structure parameters

• Formula: C11 H12 N2 O3
• Calculated formula: C11 H12 N2 O3
• SMILES: N1(N)[C@@H]2C[C@H](O[C@@H]2OC1=O)c1ccccc1
• Title of publication: From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.
• Authors of publication: You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 6316 - 6327
• a: 5.4617 ± 0.0003 Å
• b: 8.2109 ± 0.0005 Å
• c: 23.4585 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1052.01 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No