Information card for entry 7160976

Structure parameters

• Chemical name: (Z)-2-(4-bromophenyl)-3-phenylacrylonitrile
• Formula: C15 H10 Br N
• Calculated formula: C15 H10 Br N
• Title of publication: Synthesis of α-alkenylated nitriles <i>via</i> electrochemical generation of ketyl radicals.
• Authors of publication: Li, Kai; Yang, Hao; Zhang, Yupu; Sun, Qi; Wang, Zhiyong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1346 - 1351
• a: 6.8584 ± 0.0005 Å
• b: 13.9916 ± 0.0009 Å
• c: 14.623 ± 0.0012 Å
• α: 116.987 ± 0.004°
• β: 92.24 ± 0.005°
• γ: 101.866 ± 0.004°
• Cell volume: 1209.52 ± 0.16 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No