Information card for entry 7153258

Structure parameters

• Formula: C8 H14 N2 O2
• Calculated formula: C8 H14 N2 O2
• SMILES: O=N1C(N(C(=O)C=1)C)(C(C)C)C
• Title of publication: MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.
• Authors of publication: Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 864 - 872
• a: 6.9 ± 0.002 Å
• b: 7.365 ± 0.002 Å
• c: 8.819 ± 0.002 Å
• α: 83.78 ± 0.02°
• β: 86.06 ± 0.02°
• γ: 84.78 ± 0.02°
• Cell volume: 442.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections: 1.935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No