Information card for entry 7103711

Structure parameters

• Chemical name: 6-uradinyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl
• Formula: C11 H15 N4 O3
• Calculated formula: C11 H15 N4 O3
• SMILES: O=C1NC(=O)NC(C3[N](=O)C(C(N=3)(C)C)(C)C)=C1
• Title of publication: Molecular recognition for stable organic radicals ‒ 2-(6-uradinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl
• Authors of publication: Taylor, Patrick; Serwinski, Paul R.; Lahti, Paul M.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1400 - 1401
• a: 13.3744 ± 0.0009 Å
• b: 13.6012 ± 0.0009 Å
• c: 15.1086 ± 0.0013 Å
• α: 90°
• β: 109.701 ± 0.003°
• γ: 90°
• Cell volume: 2587.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.111
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No