Information card for entry 4517292

Structure parameters

• Formula: C18 H23 N O
• Calculated formula: C18 H23 N O
• SMILES: O=C(N[C@H](c1cc2ccccc2cc1)CC(C)(C)C)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: 9.2782 ± 0.0001 Å
• b: 9.2782 ± 0.0001 Å
• c: 39.8985 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3434.66 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No