Information card for entry 4030541

Structure parameters

• Common name: Cyclopentaisooxazole
• Chemical name: (3aR,5R,5aS,6aR,9aR,9bR)-1-benzyl-5-(benzyloxy)-8,8-dimethyloctahydro- [1,3]dioxolo[4'',5'':4',5']furo[3',2':1,5]cyclopenta[1,2-c]isoxazole
• Formula: C25 H29 N O5
• Calculated formula: C25 H29 N O5
• SMILES: [C@H]1(C[C@@H]2[C@]3([C@@H]1O[C@H]1[C@@H]3OC(C)(C)O1)N(Cc1ccccc1)OC2)OCc1ccccc1
• 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: 9.66 ± 0.002 Å
• b: 10.965 ± 0.002 Å
• c: 10.599 ± 0.002 Å
• α: 90°
• β: 96.916 ± 0.012°
• γ: 90°
• Cell volume: 1114.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No