Information card for entry 2217213

Structure parameters

• Chemical name: 3-[(Hydroxy)(4-isopropoxy-2-methoxyphenyl)methylene]-1- isopropylpyrrolidine-2,4-dione
• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• SMILES: O(C(C)C)c1cc(OC)c(cc1)C(=C1/C(=O)N(CC1=O)C(C)C)/O
• Title of publication: 3-[(Hydroxy)(4-isopropoxy-2-methoxyphenyl)methylene]-1-isopropylpyrrolidine-2,4-dione
• Authors of publication: Hai-zhen Xu; You-quan Zhu; Yu-hong Xiao; Ran Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o217 - o217
• a: 14.694 ± 0.002 Å
• b: 12.249 ± 0.002 Å
• c: 20.308 ± 0.003 Å
• α: 90°
• β: 103.864 ± 0.003°
• γ: 90°
• Cell volume: 3548.7 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes