Information card for entry 2213258

Structure parameters

• Chemical name: (E)-methyl 3-(3-(bromomethyl)phenyl)acrylate
• Formula: C11 H11 Br O2
• Calculated formula: C11 H11 Br O2
• SMILES: BrCc1cc(ccc1)/C=C/C(=O)OC
• Title of publication: (<i>E</i>)-Methyl 3-[3-(bromomethyl)phenyl]acrylate
• Authors of publication: Ren, Xin-Lin; Peng, Hao; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2080 - o2081
• a: 6.1578 ± 0.0005 Å
• b: 7.839 ± 0.0007 Å
• c: 12.0604 ± 0.001 Å
• α: 77.58 ± 0.001°
• β: 88.816 ± 0.001°
• γ: 71.594 ± 0.001°
• Cell volume: 538.76 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes