Information card for entry 2203409

Structure parameters

• Chemical name: Dimethyl 7-(N,N-dimethylamino)3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate
• Formula: C22 H22 N2 O5
• Calculated formula: C22 H22 N2 O5
• SMILES: O=C(OC)c1c(c(n2ccc(N(C)C)cc12)C(=O)C1C=CC(C=C1)C)C(=O)OC
• Title of publication: Dimethyl 7-(<i>N</i>,<i>N</i>-dimethylamino)-3-(4-methylbenzoyl)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: o537 - o538
• a: 8.05 ± 0.005 Å
• b: 16.942 ± 0.011 Å
• c: 17.094 ± 0.011 Å
• α: 118.555 ± 0.01°
• β: 95.033 ± 0.012°
• γ: 97.082 ± 0.011°
• Cell volume: 2003 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes