Information card for entry 7203581

Structure parameters

• Common name: 3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2- yl)pyridine
• Chemical name: 3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl)pyridine
• Formula: C19 H27 N5 O4
• Calculated formula: C19 H27 N5 O4
• SMILES: O=N1=C([N](=O)C(C1(C)C)(C)C)c1cncc(c1)C1=N(=O)C(C([N]1=O)(C)C)(C)C
• Title of publication: Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation
• Authors of publication: Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 4146
• a: 11.275 ± 0.004 Å
• b: 11.242 ± 0.004 Å
• c: 17.688 ± 0.006 Å
• α: 108.566 ± 0.003°
• β: 110.869 ± 0.003°
• γ: 89.344 ± 0.003°
• Cell volume: 1972.7 ± 1.2 ų
• Cell temperature: 143.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No