Information card for entry 2226527

Structure parameters

• Chemical name: 1,4-Dibromo-2,5-dimethoxybenzene
• Formula: C8 H8 Br2 O2
• Calculated formula: C8 H8 Br2 O2
• SMILES: COc1cc(Br)c(cc1Br)OC
• Title of publication: 1,4-Dibromo-2,5-dimethoxybenzene
• Authors of publication: Luo, Zhong-Hua; Chang, Jin; Feng, Mei-Li; Zhang, Qin; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1806
• a: 6.573 ± 0.001 Å
• b: 8.438 ± 0.002 Å
• c: 8.756 ± 0.002 Å
• α: 90°
• β: 90.14 ± 0.03°
• γ: 90°
• Cell volume: 485.63 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes