Information card for entry 7153885

Structure parameters

• Chemical name: N-Acetyl-N, N-bis-(1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine
• Formula: C20 H37 N3 O3
• Calculated formula: C20 H37 N3 O3
• SMILES: C1(CC(CC(C)(C)[N]1=O)N(C1CC(C)(C)[N](C(C1)(C)C)=O)C(=O)C)(C)C
• 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: 8.28928 ± 0.00018 Å
• b: 19.4108 ± 0.0004 Å
• c: 26.6839 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4293.48 ± 0.15 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No