Information card for entry 2228558

Structure parameters

• Chemical name: Tetraethyl 1,1'-(ethane-1,2-diyl)bis(2,5-dimethyl-1<i>H</i>-pyrrole-3,4-dicarboxylate)
• Formula: C26 H36 N2 O8
• Calculated formula: C26 H36 N2 O8
• SMILES: CCOC(=O)c1c(C(=O)OCC)c(n(c1C)CCn1c(C)c(c(c1C)C(=O)OCC)C(=O)OCC)C
• Title of publication: Tetraethyl 1,1'-(ethane-1,2-diyl)bis(2,5-dimethyl-1<i>H</i>-pyrrole-3,4-dicarboxylate)
• Authors of publication: Wang, Shi-Fan; Li, Chao; Chen, Shuai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3047
• a: 12.891 ± 0.003 Å
• b: 13.743 ± 0.003 Å
• c: 16.717 ± 0.003 Å
• α: 90°
• β: 113.35 ± 0.014°
• γ: 90°
• Cell volume: 2719 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes