Information card for entry 7048909

Structure parameters

• Formula: C79 H50 B2 Cl2 F20 O4 P2
• Calculated formula: C79 H50 B2 Cl2 F20 O4 P2
• 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: 9.0947 ± 0.0003 Å
• b: 13.882 ± 0.0003 Å
• c: 15.1063 ± 0.0005 Å
• α: 65.599 ± 0.003°
• β: 83.197 ± 0.002°
• γ: 87.446 ± 0.002°
• Cell volume: 1724.6 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No