Information card for entry 7161217

Structure parameters

• Formula: C23 H19 F N2 O3
• Calculated formula: C23 H19 F N2 O3
• Title of publication: Synthesis of aza-β-lactams via B(C6F5)3-catalyzed Wolff rearrangement/[2+2] cascade cyclization of α-diazoketones with diazenes
• Authors of publication: Song, Weihong; Ye, Yu-xiao; Wu, Jing-dong; Li, Jun-Jie; Jiang, Xiao-Mei; Zhao, Rong-bin; Yu, Wei-Guo; Xiang, Ziwei
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 15.864 ± 0.005 Å
• b: 11.53 ± 0.003 Å
• c: 10.602 ± 0.003 Å
• α: 90°
• β: 95.905 ± 0.01°
• γ: 90°
• Cell volume: 1928.9 ± 1 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No