Information card for entry 2211832

Structure parameters

• Chemical name: 1-(4-Benzyloxyphenyl)-2-bromopropan-1-one
• Formula: C16 H15 Br O2
• Calculated formula: C16 H15 Br O2
• SMILES: BrC(C)C(=O)c1ccc(OCc2ccccc2)cc1
• Title of publication: 1-(4-Benzyloxyphenyl)-2-bromopropan-1-one
• Authors of publication: Song-Qing Wang; Hong-Mei Zhao; Xiu-Jie Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o151 - o152
• a: 4.9306 ± 0.001 Å
• b: 9.7622 ± 0.0014 Å
• c: 29.912 ± 0.006 Å
• α: 90°
• β: 90.861 ± 0.008°
• γ: 90°
• Cell volume: 1439.6 ± 0.5 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: 0.0875
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes