Information card for entry 7115663

Structure parameters

• Formula: C10 H15 N O5
• Calculated formula: C10 H15 N O5
• SMILES: O1C[C@H]2OC(C)(C)O[C@H]2[C@H]1[C@@H]1COC(=O)N1
• Title of publication: Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans
• Authors of publication: William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11393
• a: 5.598 ± 0.0001 Å
• b: 13.2848 ± 0.0003 Å
• c: 14.6114 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1086.63 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.03
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No