Information card for entry 4112593

Structure parameters

• Formula: C12 H23 N O7
• Calculated formula: C12 H23 N O7
• SMILES: O1[C@@H](NC(=O)OC)[C@H](OC)[C@@H](OC)[C@H](OC)[C@H]1COC
• Title of publication: A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent
• Authors of publication: K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6234 - 6235
• a: 5.0446 ± 0.0008 Å
• b: 9.8623 ± 0.0016 Å
• c: 31.428 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1563.6 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No