Information card for entry 2206637

Structure parameters

• Chemical name: 2,2''-bis(bromomethyl)-p-terphenyl
• Formula: C20 H16 Br2
• Calculated formula: C20 H16 Br2
• SMILES: BrCc1ccccc1c1ccc(cc1)c1ccccc1CBr
• Title of publication: 2,2''-Bis(bromomethyl)-<i>p</i>-terphenyl
• Authors of publication: Jones, Peter G.; Kuś, Piotr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2947 - o2948
• a: 4.4286 ± 0.0004 Å
• b: 7.4756 ± 0.0006 Å
• c: 12.4664 ± 0.0012 Å
• α: 96.032 ± 0.004°
• β: 98.347 ± 0.004°
• γ: 96.155 ± 0.004°
• Cell volume: 402.93 ± 0.06 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes