Information card for entry 4025533

Structure parameters

• Common name: nitroxide
• Chemical name: piperidine-1-oxyl-4-methylene acetic acid methyl ester
• Formula: C12 H20 N O3
• Calculated formula: C12 H20 N O3
• Title of publication: The Effect of Structure on Nitroxide EPR Spectral Linewidth
• Authors of publication: Scott R. Burks; Mallory A. Makowsky; Zachary A. Yaffe; Chad Hoggle; Pei Tsai; Sukumaran Muralidharan; Michael K. Bowman; Joseph P.Y. Kao; Gerald M. Rosen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4737 - 4741
• a: 7.7657 ± 0.0007 Å
• b: 15.5387 ± 0.0014 Å
• c: 11.2639 ± 0.001 Å
• α: 90°
• β: 109.592 ± 0.001°
• γ: 90°
• Cell volume: 1280.5 ± 0.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No