Information card for entry 2102645

Structure parameters

• Chemical name: Bis(4-bromophenyl) ether
• Formula: C12 H8 Br2 O
• Calculated formula: C12 H8 Br2 O
• SMILES: Brc1ccc(cc1)Oc1ccc(cc1)Br
• Title of publication: Di-<i>p</i>-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data
• Authors of publication: Eriksson, Lars; Eriksson, Johan; Hu, Jiwei
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 734 - 738
• a: 26.645 ± 0.006 Å
• b: 7.6902 ± 0.0014 Å
• c: 5.7223 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No