Information card for entry 2212348

Structure parameters

• Chemical name: (3S,4S)-tert-Butyl 4-amino-3-hydroxy-5-phenylpentanoate
• Formula: C15 H23 N O3
• Calculated formula: C15 H23 N O3
• SMILES: N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)OC(C)(C)C
• Title of publication: (3<i>S</i>,4<i>S</i>)-<i>tert</i>-Butyl 4-amino-3-hydroxy-5-phenylpentanoate
• Authors of publication: Zhang, Yu; Fang, Hua; Jin, Li-Ren; Zheng, Jian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1051 - o1052
• a: 11.696 ± 0.003 Å
• b: 14.377 ± 0.004 Å
• c: 9.177 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1543.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes