Information card for entry 4519144

Structure parameters

• Formula: C40 H6 F20
• Calculated formula: C40 H6 F20
• Title of publication: Palladium-Catalyzed Solid-State Polyfluoroarylation of Aryl Halides Using Mechanochemistry
• Authors of publication: Takahashi, Rikuro; Seo, Tamae; Kubota, Koji; Ito, Hajime
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 14803 - 14810
• a: 4.3952 ± 0.0001 Å
• b: 18.1094 ± 0.0003 Å
• c: 19.3056 ± 0.0003 Å
• α: 82.053 ± 0.001°
• β: 83.462 ± 0.002°
• γ: 83.034 ± 0.002°
• Cell volume: 1503.24 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No