Information card for entry 4030543

Structure parameters

• Common name: methyloxazinane
• Chemical name: ((2R,4aS,6aR,7R,9aS)-2-methyloctahydrofuro[3',4':2,3]furo[3,4-d][1,3]oxazin-7-yl)methanol
• Formula: C10 H17 N O4
• Calculated formula: C10 H17 N O4
• SMILES: O1C[C@]23N[C@H](OC[C@@H]3CO[C@H]2[C@H]1CO)C
• Title of publication: Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.
• Authors of publication: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 1136
• a: 7.6184 ± 0.0003 Å
• b: 9.1016 ± 0.0004 Å
• c: 15.0206 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1041.52 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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 all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1281
• 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: No