Information card for entry 1560306

Structure parameters

• Common name: 9
• Formula: C70.5 H56 B Cl F24 N3 O3 P
• Calculated formula: C70.5 H56 B Cl F24 N3 O3 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: 13.1828 ± 0.0013 Å
• b: 17.102 ± 0.0016 Å
• c: 17.4082 ± 0.0017 Å
• α: 114.902 ± 0.003°
• β: 105.306 ± 0.003°
• γ: 96.778 ± 0.003°
• Cell volume: 3313.7 ± 0.6 ų
• Cell temperature: 103.85 K
• Ambient diffraction temperature: 103.85 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1531
• 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