Information card for entry 2226253

Structure parameters

• Chemical name: 3,5-Dibromo-2',3',4',5',6'-pentamethyl-1,1'-biphenyl
• Formula: C17 H18 Br2
• Calculated formula: C17 H18 Br2
• SMILES: Brc1cc(Br)cc(c1)c1c(c(c(c(c1C)C)C)C)C
• Title of publication: 3,5-Dibromo-2',3',4',5',6'-pentamethyl-1,1'-biphenyl
• Authors of publication: Roşca, Sorin; Olaru, Marian; Raţ, Ciprian I.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1248
• a: 9.011 ± 0.005 Å
• b: 14.065 ± 0.008 Å
• c: 12.387 ± 0.007 Å
• α: 90°
• β: 94.613 ± 0.009°
• γ: 90°
• Cell volume: 1564.8 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes