Information card for entry 1503982

Structure parameters

• Formula: C5 H10 N2 O2
• Calculated formula: C5 H10 N2 O2
• SMILES: C1(CC[C@H](CN=1=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: 6.93904 ± 0.00015 Å
• b: 8.06968 ± 0.00017 Å
• c: 10.42331 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 583.66 ± 0.02 ų
• Cell temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No