Information card for entry 7251123

Structure parameters

• Formula: C15 H13 N O S
• Calculated formula: C15 H13 N O S
• 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: 6.2269 ± 0.0001 Å
• b: 13.1586 ± 0.0003 Å
• c: 15.0552 ± 0.0004 Å
• α: 90°
• β: 92.462 ± 0.001°
• γ: 90°
• Cell volume: 1232.44 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No