Information card for entry 2223137

Structure parameters

• Common name: 1,2-bis(bromomethyl)-4,5-dimethoxybenzene
• Chemical name: 1,2-Bis(bromomethyl)-4,5-dimethoxybenzene
• Formula: C10 H12 Br2 O2
• Calculated formula: C10 H12 Br2 O2
• SMILES: BrCc1c(cc(OC)c(OC)c1)CBr
• Title of publication: 1,2-Bis(bromomethyl)-4,5-dimethoxybenzene
• Authors of publication: Zhou, Feng-yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2064
• a: 8.125 ± 0.006 Å
• b: 14.689 ± 0.01 Å
• c: 20.353 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes