Information card for entry 7156309

Structure parameters

• Common name: biphenyl
• Chemical name: 4'-Bromo-3-piperidin-1-yl-biphenyl-4-carbonitrile
• Formula: C18 H17 Br N2
• Calculated formula: C18 H17 Br N2
• Title of publication: Base controlled diverse reactivity of allyl cyanide for synthesis of multi-substituted benzenes.
• Authors of publication: Yadav, Pratik; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 5465 - 5473
• a: 9.541 ± 0.003 Å
• b: 14.222 ± 0.004 Å
• c: 12.432 ± 0.003 Å
• α: 90°
• β: 110.54 ± 0.03°
• γ: 90°
• Cell volume: 1579.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1354
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No