Information card for entry 4030542

Structure parameters

• Common name: Furodioxazocin
• Chemical name: (3S,6aS,7aR,10aR,10bR)-1-benzyl-9,9-dimethylhexahydro-1H-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,6,2]dioxazocine
• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• SMILES: N1(O[C@@H]2COC[C@H]3O[C@@H]4OC(O[C@@H]4[C@]13C2)(C)C)Cc1ccccc1
• 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: 5.906 ± 0.002 Å
• b: 9.576 ± 0.004 Å
• c: 29.275 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655.7 ± 1.2 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: 0.045
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No