Information card for entry 7131961

Structure parameters

• Formula: C45.5 H6 B Cl F30
• Calculated formula: C45.5 H6 B Cl F30
• 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: 10.8368 ± 0.0015 Å
• b: 20.352 ± 0.003 Å
• c: 21.873 ± 0.003 Å
• α: 64.316 ± 0.005°
• β: 75.794 ± 0.005°
• γ: 78.866 ± 0.006°
• Cell volume: 4193.7 ± 1 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2982
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No