Information card for entry 4024352

Structure parameters

• Chemical name: 1,5-diisopropyl-3-(4'-hydroxyphenyl)-6-oxo-verdazyl
• Formula: C14 H19 N4 O2
• Calculated formula: C14 H19 N4 O2
• SMILES: CC(C)[N]1=NC(=NN(C1=O)C(C)C)c1ccc(O)cc1
• Title of publication: Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents
• Authors of publication: Victoria Chemistruck; Dallas Chambers; David J. R. Brook
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1850 - 1857
• a: 6.171 ± 0.001 Å
• b: 18.048 ± 0.003 Å
• c: 13.106 ± 0.002 Å
• α: 90°
• β: 96.19 ± 0.01°
• γ: 90°
• Cell volume: 1451.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No