Information card for entry 2215244

Structure parameters

• Chemical name: Diethyl 1,1'-ethane-1,2-diylbis(2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate)
• Formula: C18 H24 N2 O6
• Calculated formula: C18 H24 N2 O6
• SMILES: CCOC(=O)C1=C(C)N(C(=O)C1)CCN1C(=O)CC(=C1C)C(=O)OCC
• Title of publication: Diethyl 1,1'-ethane-1,2-diylbis(2-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate)
• Authors of publication: Zhen-Feng Zhang; Si-Qian Wang; Jian-Ping Li; Gui-Rong Qu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3865 - o3865
• a: 4.5403 ± 0.001 Å
• b: 12.418 ± 0.003 Å
• c: 16.439 ± 0.004 Å
• α: 90°
• β: 91.812 ± 0.003°
• γ: 90°
• Cell volume: 926.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes