Information card for entry 7150731

Structure parameters

• Formula: C36 H50 N2 O13 S
• Calculated formula: C36 H50 N2 O13 S
• SMILES: C1[C@@]23CC[C@@H](C2(C)C)C[C@H]3N(C(=O)[C@H]([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)NOCc2ccccc2)S1(=O)=O
• 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: 12.629 ± 0.005 Å
• b: 14.954 ± 0.005 Å
• c: 20.739 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3917 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No