Information card for entry 1560304

Structure parameters

• Common name: 4a
• Formula: C25 H14 O3 S
• Calculated formula: C25 H14 O3 S
• 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: 7.5851 ± 0.0007 Å
• b: 43.318 ± 0.003 Å
• c: 8.593 ± 0.0008 Å
• α: 90°
• β: 100.325 ± 0.002°
• γ: 90°
• Cell volume: 2777.7 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No