Information card for entry 2211812

Structure parameters

• Chemical name: 1,4-Bis(4-bromophenyl)-2,3-diphenylbenzene
• Formula: C30 H20 Br2
• Calculated formula: C30 H20 Br2
• SMILES: Brc1ccc(c2c(c(c(cc2)c2ccc(Br)cc2)c2ccccc2)c2ccccc2)cc1
• Title of publication: 1,4-Bis(4-bromophenyl)-2,3-diphenylbenzene
• Authors of publication: Grossie, David A.; Eynden, Matthew van den; Postel, David; Feld, William A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o284 - o286
• a: 10.4922 ± 0.0006 Å
• b: 9.9679 ± 0.0005 Å
• c: 22.4589 ± 0.0012 Å
• α: 90°
• β: 96.58 ± 0.0014°
• γ: 90°
• Cell volume: 2333.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes