Information card for entry 2231482

Structure parameters

• Chemical name: (2<i>R</i>)-<i>N</i>-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
• Formula: C25 H24 N2 O2
• Calculated formula: C25 H24 N2 O2
• SMILES: N1(CCC[C@@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1
• Title of publication: (2<i>R</i>)-<i>N</i>-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
• Authors of publication: Nayab, Saira; Lee, Hong-In; Jeong, Jong Hwa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2478
• a: 8.4036 ± 0.0007 Å
• b: 11.2215 ± 0.0008 Å
• c: 21.4182 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.8 ± 0.2 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: 0.0797
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes