Information card for entry 4135141

Structure parameters

• Formula: C42 H28 B2 F8 N2 O2
• Calculated formula: C42 H28 B2 F8 N2 O2
• Title of publication: Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.
• Authors of publication: Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.46 ± 0.0003 Å
• b: 13.8649 ± 0.0004 Å
• c: 15.5724 ± 0.0005 Å
• α: 105.814 ± 0.003°
• β: 97.712 ± 0.003°
• γ: 90.105 ± 0.003°
• Cell volume: 1740.15 ± 0.1 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No