Information card for entry 7104766

Structure parameters

• Formula: C22 H26 Br N O2
• Calculated formula: C22 H26 Br N O2
• 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: 8.2923 ± 0.0005 Å
• b: 10.5937 ± 0.0006 Å
• c: 13.0176 ± 0.0008 Å
• α: 102.082 ± 0.001°
• β: 94.398 ± 0.001°
• γ: 112.711 ± 0.001°
• Cell volume: 1015.67 ± 0.1 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No