Information card for entry 2205306

Structure parameters

• Chemical name: 4-(3-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro- 1H-pyrrole-2,5-dione
• Formula: C20 H19 N O7
• Calculated formula: C20 H19 N O7
• SMILES: C1(=C(C(=O)NC1=O)c1ccc(c(c1)O)OC)c1cc(c(c(c1)OC)OC)OC
• Title of publication: 4-(3-Hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione
• Authors of publication: Schollmeyer, Dieter; Christian Peifer; Gerd Dannhardt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o604 - o606
• a: 14.0827 ± 0.0017 Å
• b: 17.674 ± 0.003 Å
• c: 7.2238 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1798 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes