Information card for entry 2203923

Structure parameters

• Formula: C18 H17 Br O2
• Calculated formula: C18 H17 Br O2
• SMILES: C=CCOc1cccc(c1Br)OC/C=C/c1ccccc1
• Title of publication: 1-Allyloxy-2-bromo-3-(3-phenylallyloxy)benzene
• Authors of publication: Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1147 - o1148
• a: 7.2956 ± 0.0004 Å
• b: 14.8719 ± 0.0008 Å
• c: 14.7849 ± 0.0007 Å
• α: 90°
• β: 95.171 ± 0.001°
• γ: 90°
• Cell volume: 1597.62 ± 0.14 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: 0.0641
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes