Information card for entry 2233227

Structure parameters

• Chemical name: (<i>E</i>)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate
• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: O=C(OC)C(=C\c1ccccc1)\COc1c(cccc1OC)C=O
• Title of publication: (<i>E</i>)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate
• Authors of publication: Anuradha, T.; Sivakumar, G.; Seshadri, P. R.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o229
• a: 8.4696 ± 0.0005 Å
• b: 12.1662 ± 0.0007 Å
• c: 16.986 ± 0.0009 Å
• α: 94.423 ± 0.003°
• β: 100.038 ± 0.003°
• γ: 103.475 ± 0.003°
• Cell volume: 1663.33 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes