Information card for entry 7130367

Structure parameters

• Formula: C11 H6 Cl F3 O3
• Calculated formula: C11 H6 Cl F3 O3
• Title of publication: Cp*Ir(III) and Cp*Rh(III)-catalyzed annulation of salicylaldehydes with fluorinated vinyl tosylates.
• Authors of publication: Zhao, Shuwen; Cai, Xiaojia; Lu, Yuying; Hu, Jinhui; Xiong, Zhuang; Jin, Jingwei; Li, Yin; Wang, Honggen; Wu, Jia-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 4.7255 ± 0.0001 Å
• b: 22.4433 ± 0.0007 Å
• c: 10.8444 ± 0.0003 Å
• α: 90°
• β: 94.625 ± 0.003°
• γ: 90°
• Cell volume: 1146.37 ± 0.05 ų
• Cell temperature: 297.56 ± 0.1 K
• Ambient diffraction temperature: 297.56 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No