Information card for entry 1547024

Structure parameters

• Formula: C16 H25 N O3
• Calculated formula: C16 H25 N O3
• SMILES: O=C1O[C@@H]2C(=N[C@H]1[C@@H](O)C(C)C)[C@@H]1C([C@@]2(C)CC1)(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: 10.9576 ± 0.0003 Å
• b: 10.9859 ± 0.0003 Å
• c: 13.5339 ± 0.0005 Å
• α: 99.194 ± 0.003°
• β: 98.907 ± 0.003°
• γ: 102.923 ± 0.002°
• Cell volume: 1536.48 ± 0.09 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No