Information card for entry 2232349

Structure parameters

• Chemical name: Ethyl 3-benzoylindolizine-1-carboxylate
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: c1cccc2c(cc(C(=O)c3ccccc3)n12)C(=O)OCC
• Title of publication: Ethyl 3-benzoylindolizine-1-carboxylate
• Authors of publication: Gu, Wei-Jin; Zhuang, Jin; Jiang, Yu-Liang; Wang, Bing-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3033
• a: 10.03 ± 0.002 Å
• b: 19.223 ± 0.003 Å
• c: 7.9652 ± 0.0017 Å
• α: 90°
• β: 103.073 ± 0.003°
• γ: 90°
• Cell volume: 1495.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes