Information card for entry 7123998

Structure parameters

• Formula: C25 H22 N2 O
• Calculated formula: C25 H22 N2 O
• Title of publication: A Practical Copper-Catalyzed Approach to β-Lactams via Radical Carboamination of Alkenyl Carbonyl Compounds
• Authors of publication: Shi, Peng; Wang, Jie; Gan, ZiXu; Zhang, Jingyu; Zeng, Runsheng; Zhao, Yingsheng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.9877 ± 0.0013 Å
• b: 9.5433 ± 0.0012 Å
• c: 10.2039 ± 0.0013 Å
• α: 90°
• β: 92.235 ± 0.004°
• γ: 90°
• Cell volume: 971.9 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No