Information card for entry 2234663

Structure parameters

• Chemical name: Ethyl 2-benzoyl-6-methylindolizine-7-carboxylate
• Formula: C19 H17 N O3
• Calculated formula: C19 H17 N O3
• SMILES: c1ccccc1C(=O)c1cn2c(c1)cc(c(c2)C)C(=O)OCC
• Title of publication: Ethyl 2-benzoyl-6-methylindolizine-7-carboxylate
• Authors of publication: Liao, Shang-Tie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1457
• a: 8.177 ± 0.005 Å
• b: 17.243 ± 0.005 Å
• c: 11.191 ± 0.005 Å
• α: 90°
• β: 102.07 ± 0.005°
• γ: 90°
• Cell volume: 1543 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes