Information card for entry 7245271

Structure parameters

• Formula: C22 H24 N2 O2
• Calculated formula: C22 H24 N2 O2
• SMILES: O=C(N(C(=C\CCCC#N)\c1ccc(OC)cc1)Cc1ccccc1)C
• Title of publication: Photoredox-catalyzed regio- & stereoselective C(sp2)–H cyanoalkylation of enamides with cycloketone oximes via selective C–C bond cleavage/radical addition cascade
• Authors of publication: Guan, Ting; Guo, Jing-Yu; Zhang, Qing-Hong; Xu, Xin-Wen; Yu, Xiao-Yu; Zhang, Yu; Zhao, Kai
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 6524 - 6530
• a: 14.6248 ± 0.0003 Å
• b: 11.859 ± 0.0002 Å
• c: 11.3672 ± 0.0002 Å
• α: 90°
• β: 107.271 ± 0.001°
• γ: 90°
• Cell volume: 1882.58 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No