Information card for entry 7251124

Structure parameters

• Formula: C17 H15 N O
• Calculated formula: C17 H15 N O
• Title of publication: Mechanism-controlled switchable regioselective O- and N-cyclization alkenylation of alkenylbenzamides via dual photoredox and cobalt catalysis
• Authors of publication: Rao, Feiyang; Hu, Kui; He, Yuanxiang; Zuo, Ziyi; Lv, Shiming; Geng, Shu; Pan, Li; Wang, Hongmei; Huang, Feng
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 44
• Pages of publication: 14328 - 14337
• a: 6.2451 ± 0.0001 Å
• b: 9.7295 ± 0.0002 Å
• c: 11.3595 ± 0.0002 Å
• α: 82.15 ± 0.002°
• β: 86.291 ± 0.002°
• γ: 82.644 ± 0.002°
• Cell volume: 677.34 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0483
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No