Information card for entry 4323186

Structure parameters

• Formula: C11 H20 F3 N O2
• Calculated formula: C11 H20 F3 N O2
• Title of publication: Iron-Mediated Cleavage of Coordinated 1,1,1,5,5,5-Hexafluoropentane-2,4-dione by the 2,2,6,6-Tetramethylpiperidine-1-oxyl Nitroxyl Radical
• Authors of publication: Caroline Ahlers; Michael H. Dickman
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6337 - 6340
• a: 19.9528 ± 0.0012 Å
• b: 8.41 ± 0.0005 Å
• c: 15.6966 ± 0.0009 Å
• α: 90°
• β: 91.46 ± 0.001°
• γ: 90°
• Cell volume: 2633.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections: 0.1482
• Weighted residual factors for significantly intense reflections: 0.1404
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No