Information card for entry 7158545

Structure parameters

• Formula: C12 H15 N O2
• Calculated formula: C12 H15 N O2
• SMILES: O(N1C(=O)c2ccccc2C1C(C)C)C
• Title of publication: Visible light-induced N-radicals 5-exo/6-endo cyclization of alkenyl amide: facile access to isoindolinones/isoquinolinones
• Authors of publication: Lei, ZhenYao; Hu, Kui; He, Yuanxiang; Geng, Shu; Zou, Shuai; Chen, Lina; Li, Pan; Ding, ZhiJun; Huang, Feng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.9132 ± 0.0005 Å
• b: 11.7925 ± 0.0006 Å
• c: 12.0168 ± 0.0006 Å
• α: 71.738 ± 0.003°
• β: 69.902 ± 0.003°
• γ: 72.397 ± 0.003°
• Cell volume: 1099.23 ± 0.1 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0447
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No