Information card for entry 2015740

Structure parameters

• Chemical name: 2',5'-bis(bromomethyl)-p-terphenyl
• Formula: C20 H16 Br2
• Calculated formula: C20 H16 Br2
• SMILES: BrCc1c(c2ccccc2)cc(c(c1)c1ccccc1)CBr
• Title of publication: Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-<i>p</i>-terphenyl and 2',5'-bis(bromomethyl)-<i>p</i>-terphenyl
• Authors of publication: Jones, Peter G.; Zemanek, Aleksander; Kuś, Piotr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o73 - o76
• a: 11.1019 ± 0.0012 Å
• b: 8.2736 ± 0.0011 Å
• c: 17.726 ± 0.002 Å
• α: 90°
• β: 90.248 ± 0.004°
• γ: 90°
• Cell volume: 1628.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes