Information card for entry 2213066

Structure parameters

• Chemical name: Bis(4-bromophenyl) sulfone
• Formula: C12 H8 Br2 O2 S
• Calculated formula: C12 H8 Br2 O2 S
• SMILES: Brc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Br
• Title of publication: Bis(4-bromophenyl) sulfone
• Authors of publication: Gu, Xiao-Dan; Deng, Jian-Cheng; Yao, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1904 - o1905
• a: 23.767 ± 0.015 Å
• b: 5.059 ± 0.003 Å
• c: 12.423 ± 0.008 Å
• α: 90°
• β: 118.873 ± 0.007°
• γ: 90°
• Cell volume: 1308 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes