Information card for entry 2217114

Structure parameters

• Chemical name: (E)-Methyl 3-{3-[(4-bromophenoxy)methyl]phenyl}acrylate
• Formula: C17 H15 Br O3
• Calculated formula: C17 H15 Br O3
• SMILES: Brc1ccc(OCc2cc(ccc2)/C=C/C(=O)OC)cc1
• Title of publication: (<i>E</i>)-Methyl 3-{3-[(4-bromophenoxy)methyl]phenyl}acrylate
• Authors of publication: Xin-Lin Ren; Hui-Rong Zhang; Wei-Dong Wang; Rui-Juan Tao; Hong-Wu He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o6 - o6
• a: 15.5226 ± 0.0009 Å
• b: 5.939 ± 0.0003 Å
• c: 34.775 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3205.9 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes