Information card for entry 2218802

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-(4-pyridyl)imidazolidin-1-oxyl-3-oxide trichloroacetic acid solvate
• Formula: C14 H17 Cl3 N3 O4
• Calculated formula: C14 H17 Cl3 N3 O4
• SMILES: ClC(Cl)(Cl)C(=O)O.N1(=C([N](=O)C(C1(C)C)(C)C)c1ccncc1)=O
• Title of publication: 4,4,5,5-Tetramethyl-2-(4-pyridyl)imidazolidin-1-oxyl-3-oxide trichloroacetic acid solvate
• Authors of publication: Chen, Hong-Xian; Li, Zhong-Shu; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1197
• a: 10.003 ± 0.002 Å
• b: 21.036 ± 0.004 Å
• c: 9.2796 ± 0.0019 Å
• α: 90°
• β: 115.33 ± 0.03°
• γ: 90°
• Cell volume: 1764.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes