Information card for entry 1560305

Structure parameters

• Common name: 11
• Formula: C62 H41 B F24 N2 O3
• Calculated formula: C62 H41 B F24 N2 O3
• 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: 13.4502 ± 0.0006 Å
• b: 15.5304 ± 0.0007 Å
• c: 16.0826 ± 0.0007 Å
• α: 106.612 ± 0.002°
• β: 101.513 ± 0.001°
• γ: 105.375 ± 0.001°
• Cell volume: 2962.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0572
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No