Information card for entry 7048911

Structure parameters

• Formula: C50 H38 B Cl2 F10 O2 P
• Calculated formula: C50 H38 B Cl2 F10 O2 P
• Title of publication: Reversible O-H bond activation by an intramolecular frustrated Lewis pair.
• Authors of publication: Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2896 - 2899
• a: 12.3598 ± 0.0004 Å
• b: 13.0701 ± 0.0003 Å
• c: 16.0255 ± 0.0004 Å
• α: 68.699 ± 0.002°
• β: 86.559 ± 0.002°
• γ: 68.714 ± 0.003°
• Cell volume: 2239.71 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No