Information card for entry 2226838

Structure parameters

• Chemical name: 2-[1-(<i>tert</i>-Butoxycarbonyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5- dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide
• Formula: C16 H28 N3 O4
• Calculated formula: C16 H28 N3 O4
• SMILES: N1(=O)=C([N](=[O])C(C1(C)C)(C)C)[C@@H]1N(C(=O)OC(C)(C)C)CCC1
• Title of publication: 2-[1-(<i>tert</i>-Butoxycarbonyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide
• Authors of publication: Jiang, Ru; Wang, Hai-Bo; Gao, Peng; Jing, Lin-Lin; Sun, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1954
• a: 6.1016 ± 0.0012 Å
• b: 10.392 ± 0.002 Å
• c: 14.488 ± 0.003 Å
• α: 90°
• β: 101.312 ± 0.003°
• γ: 90°
• Cell volume: 900.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes