Information card for entry 4023669

Structure parameters

• Formula: C15 H21 N O8 S
• Calculated formula: C15 H21 N O8 S
• SMILES: S(CC)[C@H]1[C@H]2[C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)N2C(=O)C
• Title of publication: Investigations of Glycosylation Reactions with 2-N-Acetyl-2N,3O-oxazolidinone-Protected Glucosamine Donors
• Authors of publication: Johan D. M. Olsson; Lars Eriksson; Martina Lahmann; Stefan Oscarson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7181 - 7188
• a: 5.2144 ± 0.0006 Å
• b: 15.5943 ± 0.0012 Å
• c: 11.3014 ± 0.0012 Å
• α: 90°
• β: 95.382 ± 0.014°
• γ: 90°
• Cell volume: 914.92 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No