Information card for entry 2225449

Structure parameters

• Chemical name: (2<i>S</i>,4<i>R</i>)-4-Ammmonio-5-oxopyrrolidine-2-carboxylate
• Formula: C5 H8 N2 O3
• Calculated formula: C5 H8 N2 O3
• SMILES: [O-]C(=O)[C@H]1NC(=O)[C@@H](C1)[NH3+]
• Title of publication: (2<i>S</i>,4<i>R</i>)-4-Ammonio-5-oxopyrrolidine-2-carboxylate
• Authors of publication: Kaczmarek, Krzysztof; Wojciechowski, Jakub; Wolf, Wojciech M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o831 - o832
• a: 5.979 ± 0.0003 Å
• b: 9.3665 ± 0.0004 Å
• c: 11.3809 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 637.36 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes