Information card for entry 2007474

Structure parameters

• Chemical name: (2S,3R,4R,5R)-2-benzyl-N-(tert-butyloxycarbonyl)-3-hydroxy- 4,5-dimethyl-pyrrolidine
• Formula: C18 H27 N O3
• Calculated formula: C18 H27 N O3
• SMILES: O[C@H]1[C@H](Cc2ccccc2)N([C@@H]([C@H]1C)C)C(=O)OC(C)(C)C
• Title of publication: (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 133 K
• Authors of publication: Bats, Jan W.; Heinrich, Timo; Reggelin, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: IUC9800033
• a: 11.2771 ± 0.001 Å
• b: 11.3895 ± 0.0011 Å
• c: 13.715 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.6 ± 0.3 ų
• Cell temperature: 133 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 significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.475
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No