Information card for entry 1560307

Structure parameters

• Common name: 8
• Formula: C64 H50 B F24 O4 P
• Calculated formula: C64 H50 B F24 O4 P
• Title of publication: Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry
• Authors of publication: Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 4841 - 4849
• a: 19.596 ± 0.0013 Å
• b: 18.3533 ± 0.0013 Å
• c: 18.172 ± 0.0013 Å
• α: 90°
• β: 108.476 ± 0.004°
• γ: 90°
• Cell volume: 6198.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1158
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No