Information card for entry 2200836

Structure parameters

• Chemical name: 4-Bromophenyl 2,6-dibromophenyl ether
• Formula: C12 H7 Br3 O
• Calculated formula: C12 H7 Br3 O
• SMILES: Brc1c(Oc2ccc(Br)cc2)c(Br)ccc1
• Title of publication: 4-Bromophenyl 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: o263 - o265
• a: 11.935 ± 0.003 Å
• b: 4.9785 ± 0.001 Å
• c: 22.151 ± 0.009 Å
• α: 90°
• β: 99.43 ± 0.04°
• γ: 90°
• Cell volume: 1298.4 ± 0.7 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: 0.105
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes