Information card for entry 2239188

Structure parameters

• Chemical name: (4<i>S</i>,5<i>R</i>)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one
• Formula: C32 H35 N O4
• Calculated formula: C32 H35 N O4
• SMILES: COc1ccc(cc1)CN1C(=O)C[C@@H]([C@H]1c1ccc(cc1)C(=O)C1CCCCC1)OCc1ccccc1
• Title of publication: (4<i>S</i>,5<i>R</i>)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one
• Authors of publication: Gao, Yan-Jiao; Ma, Jie; Zheng, Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o419 - o420
• a: 9.4964 ± 0.0004 Å
• b: 28.6497 ± 0.0013 Å
• c: 9.9511 ± 0.0004 Å
• α: 90°
• β: 96.727 ± 0.004°
• γ: 90°
• Cell volume: 2688.7 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes