Information card for entry 2200812

Structure parameters

• Chemical name: 2,4-Dibromophenyl 2,6-dibromophenyl ether
• Formula: C12 H6 Br4 O
• Calculated formula: C12 H6 Br4 O
• SMILES: Brc1ccc(Oc2c(Br)cccc2Br)c(Br)c1
• Title of publication: 2,4-Dibromophenyl 2,6-dibromophenyl ether
• Authors of publication: Eriksson, Johan; Eriksson, Lars; Hu, Jiwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o347 - o349
• a: 8.0274 ± 0.0012 Å
• b: 8.389 ± 0.002 Å
• c: 20.562 ± 0.003 Å
• α: 90°
• β: 90.606 ± 0.019°
• γ: 90°
• Cell volume: 1384.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes