Information card for entry 2211786

Structure parameters

• Chemical name: Ethyl 4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate
• Formula: C26 H25 N O3
• Calculated formula: C26 H25 N O3
• SMILES: O=C(c1ccccc1)[C@H]1[C@H](N[C@@H](C(=O)OCC)[C@@H]1c1ccccc1)c1ccccc1.O=C(c1ccccc1)[C@@H]1[C@@H](N[C@H](C(=O)OCC)[C@H]1c1ccccc1)c1ccccc1
• Title of publication: Ethyl 4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate
• Authors of publication: Zhi-Fang Yu; Juan Li; Jian-Wei Sun; Liang Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o17 - o18
• a: 22.112 ± 0.005 Å
• b: 5.7505 ± 0.0012 Å
• c: 16.555 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2105.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes