Information card for entry 4030540

Structure parameters

• Common name: Pyranoisoxazole
• Chemical name: (3aR,5aR,7aR,10aS,10bR)-1-benzyl-9,9-dimethyloctahydro-[1,3]dioxolo [4'',5'':4',5']pyrano[2',3':2,3]furo[3,4-c]isoxazole
• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• 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: 6.1419 ± 0.001 Å
• b: 20.457 ± 0.003 Å
• c: 27.077 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3402.1 ± 0.9 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: 0.1584
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No