Information card for entry 2210828

Structure parameters

• Chemical name: (4S)-tert-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate
• Formula: C23 H29 N O4
• Calculated formula: C23 H29 N O4
• SMILES: OC(c1ccccc1)([C@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C)c1ccccc1
• Title of publication: (4<i>S</i>)-<i>tert</i>-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate
• Authors of publication: Gao, Yu-Xing; Liu, Wan-Yun; Bai, Yong-Gang; Guo, Ting-Ting; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4308 - o4309
• a: 6.167 ± 0.002 Å
• b: 17.497 ± 0.006 Å
• c: 20.288 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.2 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes