Information card for entry 7125034

Structure parameters

• Formula: C5.5 H12 F6 N2 O0.5 P
• Calculated formula: C5.5 H12 F6 N2 O0.5 P
• Title of publication: An air-persistent oxyallyl radical cation with simple di(methyl)amino substituents.
• Authors of publication: Regnier, Vianney; Molton, Florian; Philouze, Christian; Martin, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 76
• Pages of publication: 11422 - 11425
• a: 16.155 ± 0.003 Å
• b: 6.7318 ± 0.0013 Å
• c: 19.587 ± 0.004 Å
• α: 90°
• β: 109.09 ± 0.03°
• γ: 90°
• Cell volume: 2013 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No