Information card for entry 2214568

Structure parameters

• Common name: ATEMPO
• Chemical name: 4-amino-2,2,6,6-tetramethylpiperidine 1-oxyl
• Formula: C9 H19 N2 O
• Calculated formula: C9 H19 N2 O
• SMILES: O=[N]1C(CC(N)CC1(C)C)(C)C
• Title of publication: 4-Amino-2,2,6,6-tetramethylpiperidin-1-oxyl radical (ATEMPO)
• Authors of publication: Legros, Jean-Pierre; De Caro, Dominique; Casellas, Hélène
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3414 - o3414
• a: 5.721 ± 0.002 Å
• b: 12.919 ± 0.003 Å
• c: 13.955 ± 0.004 Å
• α: 90°
• β: 96.61 ± 0.04°
• γ: 90°
• Cell volume: 1024.6 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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 all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes