Information card for entry 7204035

Structure parameters

• Chemical name: 2,4-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) phenol
• Formula: C20 H27 N4 O5
• Calculated formula: C20 H26.75 N4 O5
• Title of publication: Phenol-substituted nitronyl nitroxide biradicals with a triplet (S = 1) ground state
• Authors of publication: Hase, Syuichiro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 756
• a: 11.806 ± 0.004 Å
• b: 25.33 ± 0.005 Å
• c: 7.337 ± 0.007 Å
• α: 89°
• β: 104.65 ± 0.04°
• γ: 89°
• Cell volume: 2122 ± 2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 4.844
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No