Information card for entry 2234655

Structure parameters

• Common name: 7-(2-Bromophenyl)-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5,10-dione
• Chemical name: 1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Formula: C22 H15 Br O4
• Calculated formula: C22 H15 Br O4
• SMILES: Brc1c(C2OC(=O)c3ccccc3c3ccccc3C(=O)OC2)cccc1
• Title of publication: 1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1552
• a: 8.0436 ± 0.0009 Å
• b: 21.775 ± 0.002 Å
• c: 12.8809 ± 0.0011 Å
• α: 90°
• β: 125.613 ± 0.005°
• γ: 90°
• Cell volume: 1834.1 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes