Information card for entry 2228757

Structure parameters

• Chemical name: Diethyl indolizine-1,3-dicarboxylate
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: c1cccc2c(cc(C(=O)OCC)n12)C(=O)OCC
• Title of publication: Diethyl indolizine-1,3-dicarboxylate
• 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: 1
• Pages of publication: o123
• a: 7.941 ± 0.002 Å
• b: 19.7 ± 0.004 Å
• c: 8.622 ± 0.002 Å
• α: 90°
• β: 101.77 ± 0.003°
• γ: 90°
• Cell volume: 1320.4 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes