Information card for entry 7161216

Structure parameters

• Chemical name: ethyl 3-oxo-2,4,4-triphenyl-1,2-diazetidine-1-carboxylate
• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 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: 8.3482 ± 0.0006 Å
• b: 9.8084 ± 0.0007 Å
• c: 13.624 ± 0.001 Å
• α: 98.448 ± 0.004°
• β: 107.812 ± 0.004°
• γ: 107.751 ± 0.004°
• Cell volume: 975.4 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No