Information card for entry 1560308

Structure parameters

• Common name: 3a
• Formula: C23 H20 B Cl2 F4 O3 P
• Calculated formula: C23 H20 B Cl2 F4 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: 10.071 ± 0.0003 Å
• b: 18.5524 ± 0.0004 Å
• c: 13.0354 ± 0.0004 Å
• α: 90°
• β: 111.106 ± 0.003°
• γ: 90°
• Cell volume: 2272.16 ± 0.12 ų
• Cell temperature: 99.95 ± 0.13 K
• Ambient diffraction temperature: 99.95 ± 0.13 K
• Number of distinct elements: 7
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No