Information card for entry 4108214

Structure parameters

• Formula: C37 H39 B F P
• Calculated formula: C37 H39 B F P
• SMILES: [P+](C)(c1c(cccc1)[B](F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Fluoride Ion Chelation By a Bidentate Phosphonium/Borane Lewis Acid
• Authors of publication: Todd W. Hudnall; Young-Min Kim; Magnus W. P. Bebbington; Didier Bourissou; François P. Gabbaï
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10890 - 10891
• a: 10.831 ± 0.0014 Å
• b: 11.5758 ± 0.0015 Å
• c: 12.4242 ± 0.0016 Å
• α: 85.161 ± 0.002°
• β: 75.771 ± 0.003°
• γ: 83.546 ± 0.003°
• Cell volume: 1497.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No