Information card for entry 4027759

Structure parameters

• Chemical name: 1,2-Di-tert-butoxy-3- (pent-4-enyl)octahydrocyclopenta[c]pyrrolo[1,2-b]isoxazolidine
• Formula: C22 H38.14 N O3
• Calculated formula: C22 H38.13 N O3
• Title of publication: Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones
• Authors of publication: Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 10688 - 10698
• a: 8.9167 ± 0.0009 Å
• b: 11.6882 ± 0.0019 Å
• c: 20.8027 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2168.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0381
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No