Information card for entry 7046557

Structure parameters

• Formula: C46 H29 B F12 N O P
• Calculated formula: C46 H29 B F12 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: 24.839 ± 0.005 Å
• b: 10.496 ± 0.002 Å
• c: 15.154 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3950.8 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No