Information card for entry 4517293

Structure parameters

• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: N(=C(c1ccc(c2ccccc2)cc1)\CC(C)(C)C)\C(=O)C
• Title of publication: Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species
• Authors of publication: Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 1334
• a: 5.6249 ± 0.0003 Å
• b: 8.6932 ± 0.0007 Å
• c: 34.663 ± 0.002 Å
• α: 90°
• β: 92.653 ± 0.006°
• γ: 90°
• Cell volume: 1693.15 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No