Information card for entry 2225651

Structure parameters

• Chemical name: 4-[3-(Bromomethyl)benzyloxy]-3-methoxybenzaldehyde
• Formula: C16 H15 Br O3
• Calculated formula: C16 H15 Br O3
• SMILES: BrCc1cc(COc2c(cc(C=O)cc2)OC)ccc1
• Title of publication: 4-[3-(Bromomethyl)benzyloxy]-3-methoxybenzaldehyde
• Authors of publication: Wei, Jin-Jian; Jin, Lei; Zhou, Cheng-He; Zhang, Yi-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o987
• a: 14.275 ± 0.003 Å
• b: 11.791 ± 0.002 Å
• c: 8.7315 ± 0.0017 Å
• α: 90°
• β: 95.671 ± 0.003°
• γ: 90°
• Cell volume: 1462.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes