Information card for entry 7104769

Structure parameters

• Formula: C22 H26 F6 N O2 P
• Calculated formula: C22 H26 F6 N O2 P
• Title of publication: Ion-tagged pi-acidic alkene ligands promote Pd-catalysed allyl-aryl couplings in an ionic liquid.
• Authors of publication: Bäuerlein, Patrick S; Fairlamb, Ian J S; Jarvis, Amanda G; Lee, Adam F; Müller, Christian; Slattery, John M; Thatcher, Robert J; Vogt, Dieter; Whitwood, Adrian C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 38
• Pages of publication: 5734 - 5736
• a: 9.9133 ± 0.0004 Å
• b: 21.1994 ± 0.0007 Å
• c: 10.4816 ± 0.0004 Å
• α: 90°
• β: 94.152 ± 0.004°
• γ: 90°
• Cell volume: 2196.99 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No