Information card for entry 2224957

Structure parameters

• Chemical name: 2-(1<i>H</i>-Indol-3-yl)-4,4,5,5-tetramethylimidazolidine-1-oxyl 3-oxide
• Formula: C15 H18 N3 O2
• Calculated formula: C15 H18 N3 O2
• SMILES: [nH]1c2ccccc2c(c1)C1=N(=O)C(C)(C)C([N]1=O)(C)C
• Title of publication: 2-(1<i>H</i>-Indol-3-yl)-4,4,5,5-tetramethylimidazolidine-1-oxyl 3-oxide
• Authors of publication: Wang, Hai-Bo; Jing, Lin-Lin; Jiang, Ru; Liu, Peng; Sun, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o428
• a: 15.081 ± 0.0015 Å
• b: 8.77 ± 0.0008 Å
• c: 10.6108 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1403.4 ± 0.2 ų
• Cell temperature: 296 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes