Information card for entry 2204090

Structure parameters

• Common name: 2,4,2',4'-tetrabromo diphenyl ether
• Chemical name: bis(2,4-dibromophenyl) ether
• Formula: C12 H6 Br4 O
• Calculated formula: C12 H6 Br4 O
• SMILES: Brc1c(Oc2c(Br)cc(Br)cc2)ccc(Br)c1
• Title of publication: Bis(2,4-dibromophenyl) ether
• Authors of publication: Eriksson, Lars; Eriksson, Johan; Hu, Jiwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1424 - o1426
• a: 8.5568 ± 0.0014 Å
• b: 13.822 ± 0.002 Å
• c: 23.295 ± 0.004 Å
• α: 90°
• β: 90.842 ± 0.019°
• γ: 90°
• Cell volume: 2754.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes