Information card for entry 2231615

Structure parameters

• Chemical name: 3,4-Bis[4-(4-methoxyphenoxy)phenyl]-1-methyl-1<i>H</i>-pyrrole-2,5-dione
• Formula: C31 H25 N O6
• Calculated formula: C31 H25 N O6
• SMILES: O=C1N(C(=O)C(=C1c1ccc(Oc2ccc(OC)cc2)cc1)c1ccc(Oc2ccc(OC)cc2)cc1)C
• Title of publication: 3,4-Bis[4-(4-methoxyphenoxy)phenyl]-1-methyl-1<i>H</i>-pyrrole-2,5-dione
• Authors of publication: Ma, Weili; Chen, Gang; Wang, Wenjing; Du, Zhenting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2366
• a: 8.751 ± 0.004 Å
• b: 10.681 ± 0.005 Å
• c: 13.63 ± 0.007 Å
• α: 97.956 ± 0.005°
• β: 91.951 ± 0.004°
• γ: 93.615 ± 0.005°
• Cell volume: 1258 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes