Information card for entry 2007476

Structure parameters

• Chemical name: 6,7-Dihydro-6-methyl-5-methoxy-3-beta-D-(tetra-O-acetyl)glucopyranosyl -7-oxo-1,2,3-triazolo[4,5-d]pyrimidine
• Formula: C20 H25 N5 O11
• Calculated formula: C20 H25 N5 O11
• SMILES: n1nn(c2nc(OC)n(C)c(=O)c12)[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)O1
• Title of publication: 6-Methyl-5-methoxy-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranos-1-yl)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one
• Authors of publication: Ferguson, George; Low, John N.; Nogueras, M.; Cobo, J.; Lopez, M. Dolores; Quijano, M. Luisa; Sanchez, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: IUC9800031
• a: 9.1779 ± 0.0008 Å
• b: 9.5094 ± 0.0007 Å
• c: 29.07 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2537.1 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.118
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No