Information card for entry 2225727

Structure parameters

• Chemical name: Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate
• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: O=C1N([C@H](C)[C@H]([C@@H]1O)C(=O)OCC)Cc1ccccc1.O=C1N([C@@H](C)[C@@H]([C@H]1O)C(=O)OCC)Cc1ccccc1
• Title of publication: Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate
• Authors of publication: Gainsford, Graeme J.; Mason, Jennifer M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o957
• a: 27.746 ± 0.012 Å
• b: 14.035 ± 0.005 Å
• c: 7.357 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2865 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2314
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes