Information card for entry 7131962

Structure parameters

• Formula: C66 H50 B F20 O P
• Calculated formula: C66 H50 B F20 O 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: 18.681 ± 0.0019 Å
• b: 18.2999 ± 0.0017 Å
• c: 17.4184 ± 0.0014 Å
• α: 90°
• β: 100.913 ± 0.006°
• γ: 90°
• Cell volume: 5847 ± 0.9 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 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: 0.1896
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No