Information card for entry 2222087

Structure parameters

• Chemical name: Diisopropyl 3-[(<i>E</i>)-2-(3,4-dimethoxyphenyl)ethenyl]-5-oxocyclohex-3-ene- 1,1-dicarboxylate
• Formula: C24 H30 O7
• Calculated formula: C24 H30 O7
• SMILES: O=C1CC(CC(=C1)/C=C/c1ccc(OC)c(OC)c1)(C(=O)OC(C)C)C(=O)OC(C)C
• Title of publication: Diisopropyl 3-[(<i>E</i>)-2-(3,4-dimethoxyphenyl)ethenyl]-5-oxocyclohex-3-ene-1,1-dicarboxylate
• Authors of publication: Chen, Shifeng; Zhang, Chen; Qi, Jian-feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1183
• a: 8.9228 ± 0.0006 Å
• b: 13.3886 ± 0.0007 Å
• c: 20.2009 ± 0.0011 Å
• α: 90°
• β: 104.249 ± 0.0014°
• γ: 90°
• Cell volume: 2339 ± 0.2 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes