Information card for entry 7160119

Structure parameters

• Formula: C24 H23 Cl2 F3 O8 Se
• Calculated formula: C24 H23 Cl2 F3 O8 Se
• Title of publication: Direct Trifluoromethylselenolations of electron-rich aromatic(hetero) rings with N-trifluoromethylselenolating saccharin
• Authors of publication: Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 11.7699 ± 0.0017 Å
• b: 13.869 ± 0.002 Å
• c: 16.099 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2627.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No