Information card for entry 7150729

Structure parameters

• Formula: C36 H50 N2 O13 S
• Calculated formula: C36 H50 N2 O13 S
• SMILES: c1cccc(CON[C@H](C(=O)N2[C@H]3[C@]4(CS2(=O)=O)CC[C@@H](C4(C)C)C3)[C@H](C)C[C@H]2[C@H]([C@H]([C@@H]([C@@H](COC(=O)C)O2)OC(=O)C)OC(=O)C)OC(=O)C)c1
• Title of publication: Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine
• Authors of publication: Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 3918 - 3921
• a: 8.9756 ± 0.0005 Å
• b: 17.3489 ± 0.001 Å
• c: 12.2509 ± 0.0007 Å
• α: 90°
• β: 94.036 ± 0.002°
• γ: 90°
• Cell volume: 1902.94 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0386
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No