Information card for entry 7131955

Structure parameters

• Formula: C23 H15 F6 N O4 S2
• Calculated formula: C23 H15 F6 N O4 S2
• 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: 10.4243 ± 0.0012 Å
• b: 10.867 ± 0.0012 Å
• c: 11.5682 ± 0.0011 Å
• α: 88.268 ± 0.005°
• β: 88.338 ± 0.005°
• γ: 61.795 ± 0.005°
• Cell volume: 1154.2 ± 0.2 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 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: 0.0863
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No