Information card for entry 7046558

Structure parameters

• Formula: C46 H26 B F15 N O P
• Calculated formula: C46 H26 B F15 N O P
• Title of publication: Interception of intermediates in phosphine oxidation by mesityl nitrile-N-oxide using frustrated Lewis pairs.
• Authors of publication: Szkop, Kevin M.; Zhu, Diya; Longobardi, Lauren E.; Heck, Julian; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 8933 - 8939
• a: 11.6657 ± 0.0007 Å
• b: 17.8082 ± 0.0009 Å
• c: 19.8218 ± 0.001 Å
• α: 90°
• β: 93.482 ± 0.003°
• γ: 90°
• Cell volume: 4110.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1346
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No