Information card for entry 1572399

Structure parameters

• Formula: C28 H33 B Cl5 F N2 O
• Calculated formula: C28 H33 B Cl5 F N2 O
• Title of publication: Illuminating the Multiple Lewis Acidity of Triaryl-Boranes via Atropisomeric Dative Adducts
• Authors of publication: Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Papai, Imre; Soos, Tibor
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 8.5595 ± 0.0002 Å
• b: 18.0868 ± 0.0004 Å
• c: 18.9345 ± 0.0004 Å
• α: 90°
• β: 99.522 ± 0.007°
• γ: 90°
• Cell volume: 2890.94 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No