Information card for entry 2232581

Structure parameters

• Common name: phenylacrylate
• Chemical name: (<i>E</i>)-Methyl 2-[(4-bromo-2-formylphenoxy)methyl]-3-phenylacrylate
• Formula: C18 H15 Br O4
• Calculated formula: C18 H15 Br O4
• SMILES: c1ccc(cc1)/C=C(C(=O)OC)\COc1ccc(cc1C=O)Br
• Title of publication: (<i>E</i>)-Methyl 2-[(4-bromo-2-formylphenoxy)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: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3322
• a: 8.2798 ± 0.0002 Å
• b: 22.1975 ± 0.0005 Å
• c: 9.2537 ± 0.0002 Å
• α: 90°
• β: 99.857 ± 0.002°
• γ: 90°
• Cell volume: 1675.64 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes