Information card for entry 2202123

Structure parameters

• Chemical name: Methyl (3SR,4RS)-3-benzyl-4-hydroxy-2-oxopyrrolidine-3-carboxylate
• Formula: C13 H15 N O4
• Calculated formula: C13 H15 N O4
• SMILES: N1C[C@@H](O)[C@@](C1=O)(C(=O)OC)Cc1ccccc1.N1C[C@H](O)[C@](C1=O)(C(=O)OC)Cc1ccccc1
• Title of publication: Methyl (3<i>SR</i>,4<i>RS</i>)-3-benzyl-4-hydroxy-2-oxopyrrolidine-3-carboxylate
• Authors of publication: Ahmad Sazali Hamzah; Zurina Shaameri; Izwan A. Adziz; Bohari M. Yamin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o737 - o738
• a: 14.7891 ± 0.0011 Å
• b: 10.8965 ± 0.0008 Å
• c: 15.4391 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2488 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes