Information card for entry 2208204

Structure parameters

• Chemical name: (3S,4S)-tert-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate
• Formula: C29 H35 N O3
• Calculated formula: C29 H35 N O3
• SMILES: N([C@H]([C@H](CC(=O)OC(C)(C)C)O)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: (3<i>S</i>,4<i>S</i>)-<i>tert</i>-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate
• Authors of publication: Tan, Bin; Zheng, Jian-Feng; Huang, Rong-Bin; Wei, Zan-Bin; Jin, Li-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o423 - o424
• a: 10.351 ± 0.003 Å
• b: 12.615 ± 0.003 Å
• c: 19.64 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2564.5 ± 1.2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes