Information card for entry 1547021

Structure parameters

• Formula: C18 H27 N O4
• Calculated formula: C18 H27 N O4
• SMILES: O1[C@H]2[C@@]3(CC[C@H]([C@]42N[C@@H](C1=O)[C@H]([C@@H]4C(=O)OCC)C)C3(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: 7.0462 ± 0.0003 Å
• b: 14.9347 ± 0.0009 Å
• c: 16.4046 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.3 ± 0.17 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 0.1 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: 0.0955
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No