Information card for entry 1503983

Structure parameters

• Formula: C11 H20 N2 O2
• Calculated formula: C11 H20 N2 O2
• SMILES: C12(CCCCC1)C(=N(CC(C2)(C)O)=O)N
• Title of publication: A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.
• Authors of publication: Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3194 - 3197
• a: 20.5261 ± 0.0002 Å
• b: 12.69158 ± 0.00016 Å
• c: 9.48439 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2470.77 ± 0.05 ų
• Cell temperature: 100 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No