Information card for entry 2238951

Structure parameters

• Chemical name: Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizin-5-yl]-2-oxoacetate
• Formula: C25 H23 N O4
• Calculated formula: C25 H23 N O4
• SMILES: CCOC(=O)C(=O)c1n2CCCc2c(c1C(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizin-5-yl]-2-oxoacetate
• Authors of publication: Zhong, Jia-liang; Sun, Wen-xia; Zhang, Fu-li; Liu, Li-hong; Liu, He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1730
• a: 8.8949 ± 0.0018 Å
• b: 9.0003 ± 0.0018 Å
• c: 25.58 ± 0.005 Å
• α: 90°
• β: 96.75 ± 0.03°
• γ: 90°
• Cell volume: 2033.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No