Information card for entry 2206667

Structure parameters

• Common name: 2,3-Bis(bromomethyl)-1,4-dimethoxybenzene
• Chemical name: 2,3-Bis(bromomethyl)-1,4-dimethoxybenzene
• Formula: C10 H12 Br2 O2
• Calculated formula: C10 H12 Br2 O2
• SMILES: BrCc1c(c(OC)ccc1OC)CBr
• Title of publication: 2,3-Bis(bromomethyl)-1,4-dimethoxybenzene
• Authors of publication: Peter Hammershøj; Jørn B. Christensen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2839 - o2840
• a: 4.474 ± 0.0008 Å
• b: 7.663 ± 0.0008 Å
• c: 16.463 ± 0.002 Å
• α: 94.685 ± 0.011°
• β: 94.945 ± 0.009°
• γ: 98.276 ± 0.013°
• Cell volume: 553.93 ± 0.14 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes