Information card for entry 7134325

Structure parameters

• Formula: C28 H16 F2 N4 O2
• Calculated formula: C28 H16 F2 N4 O2
• 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: 8.9992 ± 0.0009 Å
• b: 11.0091 ± 0.0012 Å
• c: 29.001 ± 0.003 Å
• α: 90°
• β: 91.719 ± 0.002°
• γ: 90°
• Cell volume: 2871.9 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0994
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No