Information card for entry 2206669

Structure parameters

• Common name: 1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene
• Chemical name: 1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene
• Formula: C10 H11 Br3 O2
• Calculated formula: C10 H11 Br3 O2
• SMILES: BrCc1c(OC)c(Br)cc(OC)c1CBr
• Title of publication: 1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene
• Authors of publication: Peter Hammershøj; Erik Riis; Jørn B. Christensen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2997 - o2998
• a: 16.566 ± 0.0009 Å
• b: 17.142 ± 0.0016 Å
• c: 8.672 ± 0.0012 Å
• α: 90 ± 0.007°
• β: 98.672 ± 0.007°
• γ: 90 ± 0.008°
• Cell volume: 2434.5 ± 0.4 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes