Information card for entry 4024353

Structure parameters

• Chemical name: 1,5-diisopropyl-3-(2'-methoxyphenyl)-6-oxo-verdazyl
• Formula: C15 H21 N4 O2
• Calculated formula: C15 H21 N4 O2
• SMILES: O=C1N(N=C([N]N1C(C)C)c1c(OC)cccc1)C(C)C
• 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: 20.034 ± 0.004 Å
• b: 7.8517 ± 0.0013 Å
• c: 20.191 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3176.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No