Information card for entry 7111472

Structure parameters

• Formula: C21 H33 N2 O2
• Calculated formula: C21 H28.6667 N2 O2
• Title of publication: Crystallography and magnetism of radicals with hindered hydroxyl groups: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl and 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl
• Authors of publication: Taylor, Patrick; Lahti, Paul M.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2686 - 2688
• a: 11.8548 ± 0.0001 Å
• b: 17.1035 ± 0.0002 Å
• c: 30.8698 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6259.12 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No