Information card for entry 7153884

Structure parameters

• Chemical name: 3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid
• Formula: C11 H18 F3 N2 O2
• Calculated formula: C11 H18 F3 N2 O2
• Title of publication: Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.
• Authors of publication: Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 25
• Pages of publication: 4491 - 4502
• a: 11.9401 ± 0.0007 Å
• b: 11.3109 ± 0.0007 Å
• c: 10.5933 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1430.66 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No