Information card for entry 2228451

Structure parameters

• Chemical name: (2<i>R</i>,4<i>R</i>)-1-(<i>tert</i>-Butoxycarbonyl)-4-methoxypyrrolidine-2- carboxylic acid
• Formula: C11 H19 N O5
• Calculated formula: C11 H19 N O5
• SMILES: O([C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)C
• Title of publication: (2<i>R</i>,4<i>R</i>)-1-(<i>tert</i>-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
• Authors of publication: Yuan, Jing; Cai, Zhi-Qiang; Huang, Chang-Jiang; Xu, Wei-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3258
• a: 6.4299 ± 0.0013 Å
• b: 9.784 ± 0.002 Å
• c: 10.279 ± 0.002 Å
• α: 90°
• β: 90.12 ± 0.03°
• γ: 90°
• Cell volume: 646.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0521
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes