Information card for entry 2205214

Structure parameters

• Chemical name: 3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• Formula: C21 H18 N2 O5
• Calculated formula: C21 H18 N2 O5
• SMILES: c1(c2ccccc2[nH]c1)C1=C(C(=O)NC1=O)c1cc(c(c(c1)OC)OC)OC
• Title of publication: 3-(1<i>H</i>-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione
• Authors of publication: Christian Peifer; Schollmeyer, Dieter; Gerd Dannhardt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o721 - o723
• a: 18.448 ± 0.002 Å
• b: 9.9631 ± 0.0004 Å
• c: 20.029 ± 0.002 Å
• α: 90°
• β: 108.422 ± 0.005°
• γ: 90°
• Cell volume: 3492.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes