Information card for entry 2237281

Structure parameters

• Common name: <i>n</i>-Propyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside
• Chemical name: (2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-2-(Acetoxymethyl)-6- propoxytetrahydro-2<i>H</i>-pyran-3,4,5-triyl triacetate
• Formula: C17 H26 O10
• Calculated formula: C17 H26 O10
• SMILES: O(C(=O)C)[C@@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@H]1OCCC)COC(=O)C
• Title of publication: <i>n</i>-Propyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Mönch, Bettina; Emmerling, Franziska; Kraus, Werner; Becker, Roland; Nehls, Irene
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o158
• a: 7.0072 ± 0.0011 Å
• b: 15.215 ± 0.003 Å
• c: 19.579 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2087.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes