Information card for entry 2232107

Structure parameters

• Chemical name: 2,2-Diethyl 4-methyl 5-(4-nitrophenyl)-4-phenylpyrrolidine-2,2,4-tricarboxylate
• Formula: C24 H26 N2 O8
• Calculated formula: C24 H26 N2 O8
• SMILES: O(C(=O)C1(N[C@@H]([C@](C1)(c1ccccc1)C(=O)OC)c1ccc(N(=O)=O)cc1)C(=O)OCC)CC
• Title of publication: 2,2-Diethyl 4-methyl 5-(4-nitrophenyl)-4-phenylpyrrolidine-2,2,4-tricarboxylate
• Authors of publication: He, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2593
• a: 9.7948 ± 0.0001 Å
• b: 10.9356 ± 0.0002 Å
• c: 22.324 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2391.17 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes