Information card for entry 2209437

Structure parameters

• Chemical name: Methyl 4-<i>O</i>-pivaloyl-β-<i>D</i>-xylopyranoside
• Formula: C11 H20 O6
• Calculated formula: C11 H20 O6
• SMILES: O([C@@H]1OC[C@@H](OC(=O)C(C)(C)C)[C@H](O)[C@H]1O)C
• Title of publication: Methyl 4-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside
• Authors of publication: Vesna Petrović; Ivan Halasz; Srđanka Tomić; Dubravka Matković Čalogović
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2746 - o2748
• a: 6.1419 ± 0.0012 Å
• b: 7.0145 ± 0.0013 Å
• c: 31.244 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes