Information card for entry 2234121

Structure parameters

• Chemical name: (<i>E</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[(1,3-dioxoisoindolin-2-yl)methyl]acrylate
• Formula: C21 H19 N O6
• Calculated formula: C21 H19 N O6
• SMILES: N1(C(=O)c2c(C1=O)cccc2)C/C(=C\c1ccc(OC)c(OC)c1)C(=O)OC
• Title of publication: (<i>E</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[(1,3-dioxoisoindolin-2-yl)methyl]acrylate
• Authors of publication: Kannan, D.; Bakthadoss, M.; Lakshmanan, D.; Murugavel, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1107
• a: 15.0613 ± 0.0008 Å
• b: 7.6334 ± 0.0004 Å
• c: 16.6354 ± 0.0008 Å
• α: 90°
• β: 93.522 ± 0.002°
• γ: 90°
• Cell volume: 1908.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes