Information card for entry 2221864

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-(4-pyridinio)-2-imidazoline-1-oxyl-3-oxide perchlorate
• Formula: C12 H17 Cl N3 O6
• Calculated formula: C12 H17 Cl N3 O6
• SMILES: c1cc(C2=N(C(C)(C(C)(C)[N]2=O)C)=O)cc[nH+]1.[O-]Cl(=O)(=O)=O
• Title of publication: 4,4,5,5-Tetramethyl-2-(4-pyridinio)-2-imidazoline-1-oxyl-3-oxide perchlorate
• Authors of publication: Gao, Zhi-Yong; Chang, Jiu-Li; Xian, Dong; Jiang, Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1062
• a: 17.485 ± 0.004 Å
• b: 11.854 ± 0.002 Å
• c: 14.921 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3092.6 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes