Information card for entry 2214861

Structure parameters

• Chemical name: 3-[(2,4-Diethoxyphenyl)(hydroxy)methylene]-1-isopropylpyrrolidine-2,4-dione
• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• SMILES: O(c1c(ccc(OCC)c1)/C(=C1\C(=O)CN(C1=O)C(C)C)O)CC
• Title of publication: 3-[(2,4-Diethoxyphenyl)(hydroxy)methylene]-1-isopropylpyrrolidine-2,4-dione
• Authors of publication: Gui-Sheng Yu; Hai-Zhen Xu; You-Quan Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3384 - o3384
• a: 13.513 ± 0.007 Å
• b: 8.135 ± 0.004 Å
• c: 16.312 ± 0.008 Å
• α: 90°
• β: 99.518 ± 0.009°
• γ: 90°
• Cell volume: 1768.5 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes