Information card for entry 4135142

Structure parameters

• Formula: C47 H41 B2 F8 N O4
• Calculated formula: C47 H41 B2 F8 N O4
• 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: 18.1316 ± 0.0012 Å
• b: 9.3794 ± 0.0008 Å
• c: 23.3395 ± 0.0016 Å
• α: 90°
• β: 92.688 ± 0.006°
• γ: 90°
• Cell volume: 3964.8 ± 0.5 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No