Information card for entry 2203408

Structure parameters

• Chemical name: Dimethyl 3-benzoyl-7-(N,N-dimethylamino)indolizine-1,2-dicarboxylate
• Formula: C21 H20 N2 O5
• Calculated formula: C21 H20 N2 O5
• SMILES: O=C(OC)c1c(c(n2ccc(N(C)C)cc12)C(=O)c1ccccc1)C(=O)OC
• Title of publication: Dimethyl 3-benzoyl-7-(<i>N,N</i>-dimethylamino)indolizine-1,2-dicarboxylate
• Authors of publication: Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sarkunam, K.; Nallu, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o479 - o480
• a: 8.6333 ± 0.0009 Å
• b: 27.515 ± 0.003 Å
• c: 7.9705 ± 0.0009 Å
• α: 90°
• β: 99.781 ± 0.002°
• γ: 90°
• Cell volume: 1865.8 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No