Information card for entry 2216465

Structure parameters

• Chemical name: Ethyl 3-phenyl-4-[(<i>Z</i>)-3-phenylacryloyl]5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2-carboxylate
• Formula: C31 H33 N O6
• Calculated formula: C31 H33 N O6
• SMILES: CCOC(=O)[C@H]1N[C@H]([C@H]([C@@H]1c1ccccc1)C(=O)/C=C/c1ccccc1)c1cc(OC)c(c(c1)OC)OC
• Title of publication: Ethyl 3-phenyl-4-[(<i>Z</i>)-3-phenylacryloyl] 5-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxylate
• Authors of publication: P. Ramesh; S. Murugavel; A. Subbiah Pandi; Ramalingam Murugan; S. Sriman Narayanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4873 - o4873
• a: 13.7016 ± 0.0005 Å
• b: 23.168 ± 0.0009 Å
• c: 8.5695 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2720.29 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes