Information card for entry 2208120

Structure parameters

• Chemical name: Dimethyl 7-(N,N-dimethylamino)-3-(2-methoxybenzoyl)indolizine-1,2-dicarbxylate
• Formula: C22 H22 N2 O6
• Calculated formula: C22 H22 N2 O6
• SMILES: O=C(OC)c1c(c(n2ccc(N(C)C)cc12)C(=O)c1c(OC)cccc1)C(=O)OC
• Title of publication: Dimethyl 7-(<i>N</i>,<i>N</i>-dimethylamino)-3-(2-methoxybenzoyl)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: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o706 - o707
• a: 28.878 ± 0.003 Å
• b: 8.0015 ± 0.0008 Å
• c: 18.7634 ± 0.0018 Å
• α: 90°
• β: 109.547 ± 0.002°
• γ: 90°
• Cell volume: 4085.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes