Information card for entry 7134326

Structure parameters

• Formula: C28 H22 N2 O3
• Calculated formula: C28 H22 N2 O3
• Title of publication: Synthesis of Highly Substituted 2-Hydroxybenzophenones through Skeletal Clipping of 3-Benzofuranones
• Authors of publication: Zhang, Chuan-Bao; Xu, Jiying; Wang, Xiao-Qing; Deng, Yi-Hang; Dou, Peihao; Xu, Wen-Li; Han, Qiuxia; Zhao, Lili; Fu, Ji-Ya
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 16.1597 ± 0.0016 Å
• b: 10.6689 ± 0.001 Å
• c: 13.0214 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No