Information card for entry 7154773

Structure parameters

• Formula: C11 H19 N O6
• Calculated formula: C11 H19 N O6
• SMILES: O1[C@@H]([C@H](O)[C@H](NC(=O)C)[C@H]1CC(=O)C)[C@H](O)CO
• Title of publication: Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.
• Authors of publication: Johnson, Sherida; Tanaka, Fujie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 259 - 264
• a: 5.206 ± 0.003 Å
• b: 14.978 ± 0.009 Å
• c: 16.033 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250.2 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0825
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No