Information card for entry 2202411

Structure parameters

• Chemical name: 1-tert-Butyl 2-methyl 4-(R)-hydroxypyrrolidine-1,2-(2S)-dicarboxylate
• Formula: C11 H19 N O5
• Calculated formula: C11 H19 N O5
• SMILES: N1([C@@H](C[C@H](C1)O)C(=O)OC)C(=O)OC(C)(C)C
• Title of publication: 1-<i>tert</i>-Butyl 2-methyl 4-(<i>R</i>)-hydroxypyrrolidine-1,2-(2<i>S</i>)-dicarboxylate
• Authors of publication: Clegg, William; Deboves, Hervé J. C.; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1987 - o1989
• a: 9.1813 ± 0.001 Å
• b: 10.7862 ± 0.0012 Å
• c: 12.7242 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1260.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes