Information card for entry 7153886

Structure parameters

• Chemical name: N-(2,2,2-Trifluoroacetyl)-N,N-bis- (1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine 1/2 ethanol hemihydrat
• Formula: C21 H38 F3 N3 O4
• Calculated formula: C21 H38 F3 N3 O4
• 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: 14.2418 ± 0.0004 Å
• b: 9.4098 ± 0.0002 Å
• c: 19.498 ± 0.0006 Å
• α: 90°
• β: 103.412 ± 0.003°
• γ: 90°
• Cell volume: 2541.71 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No