Information card for entry 2006870

Structure parameters

• Chemical name: (+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl- 3-hydroxy-pyrrolidine
• Formula: C18 H27 N O3
• Calculated formula: C18 H27 N O3
• SMILES: N1([C@H]([C@@H](O)[C@@H](C)[C@@H]1C)Cc1ccccc1)C(=O)OC(C)(C)C
• Title of publication: (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K
• Authors of publication: Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: IUC9700028
• a: 5.9054 ± 0.0008 Å
• b: 9.2686 ± 0.0007 Å
• c: 15.946 ± 0.002 Å
• α: 90°
• β: 97.138 ± 0.006°
• γ: 90°
• Cell volume: 866.04 ± 0.17 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.097
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes