Information card for entry 4135386

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• Title of publication: Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.
• Authors of publication: Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 50
• Pages of publication: 20942 - 20947
• a: 8.70779 ± 0.00014 Å
• b: 9.8648 ± 0.0002 Å
• c: 18.3289 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1574.46 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No