Information card for entry 2009294

Structure parameters

• Common name: Decabromodiphenylether
• Chemical name: Decabromodiphenylether
• Formula: C12 Br10 O
• Calculated formula: C12 Br10 O
• SMILES: Brc1c(Br)c(Br)c(Br)c(Br)c1Oc1c(Br)c(Br)c(Br)c(Br)c1Br
• Title of publication: Decabromodiphenyl ether
• Authors of publication: Eriksson, Johan; Eriksson, Lars; Jakobsson, Eva
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2169 - 2171
• a: 8.338 ± 0.001 Å
• b: 8.973 ± 0.001 Å
• c: 14.393 ± 0.002 Å
• α: 80.337 ± 0.014°
• β: 84.339 ± 0.014°
• γ: 63.179 ± 0.013°
• Cell volume: 947 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections: 1.667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.844
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No