Information card for entry 7131960

Structure parameters

• Formula: C45 H15 B F20
• Calculated formula: C45 H15 B F20
• Title of publication: Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry
• Authors of publication: Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.3424 ± 0.0014 Å
• b: 21.644 ± 0.003 Å
• c: 15.929 ± 0.002 Å
• α: 90°
• β: 99.476 ± 0.004°
• γ: 90°
• Cell volume: 3857.1 ± 0.9 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No