Information card for entry 1547019

Structure parameters

• Formula: C20 H31 N O4
• Calculated formula: C20 H31 N O4
• SMILES: O1[C@@H]2[C@@H]3C([C@](C2=N[C@@H](C1=O)[C@H](C)CC(=O)OC(C)(C)C)(CC3)C)(C)C
• Title of publication: Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.
• Authors of publication: Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4660 - 4663
• a: 10.1183 ± 0.0007 Å
• b: 6.5997 ± 0.0006 Å
• c: 15.6889 ± 0.0008 Å
• α: 90°
• β: 96.969 ± 0.006°
• γ: 90°
• Cell volume: 1039.93 ± 0.13 ų
• Cell temperature: 294.44 ± 0.1 K
• Ambient diffraction temperature: 294.44 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No