Information card for entry 1576249

Structure parameters

• Chemical name: 1,1',3,3',5,5'-hexamethyl-4,4'-bis(trifluoromethyl)-[1,1'-bi(cyclohexane)]-2,2',5,5'-tetraene
• Formula: C20 H24 F6
• Calculated formula: C20 H24 F6
• Title of publication: Photochemical Cu(III)-mediated trifluoromethylation of (hetero)arenes and biomolecules
• Authors of publication: Pospisil, Petr; Motornov, Vladimir; Michal, Ondřej; Wohlrábová, Lucie; Boháčová, Soňa; Slanina, Tomáš; Tarábek, Ján; Klepetářová, Blanka; Beier, Petr
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 7.1432 ± 0.0004 Å
• b: 8.266 ± 0.0005 Å
• c: 8.5093 ± 0.0005 Å
• α: 84.334 ± 0.003°
• β: 77.131 ± 0.003°
• γ: 68.244 ± 0.002°
• Cell volume: 454.86 ± 0.05 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0472
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9755
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No