Information card for entry 7115665

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: 5.7625 ± 0.0002 Å
• b: 8.6145 ± 0.0003 Å
• c: 21.3435 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1059.51 ± 0.07 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: 0.0719
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.1851
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9596
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No