Information card for entry 7131963

Structure parameters

• Formula: C51 H27 B Cl F15 P
• Calculated formula: C51 H27 B Cl F15 P
• 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: 12.216 ± 0.004 Å
• b: 12.34 ± 0.004 Å
• c: 15.353 ± 0.005 Å
• α: 97.878 ± 0.009°
• β: 90.337 ± 0.008°
• γ: 109.858 ± 0.008°
• Cell volume: 2152.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.1566
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0543
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No