Information card for entry 2204357

Structure parameters

• Chemical name: Methyl 2,3,4-tri-O-pivaloyl-β-D-xylopyranoside
• Formula: C21 H36 O8
• Calculated formula: C21 H36 O8
• SMILES: O([C@@H]1OC[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)C
• Title of publication: Methyl 2,3,4-tri-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside
• Authors of publication: Prugovečki, Biserka; Matković-Čalogović, Dubravka; Petrović, Vesna; Tomić, Srđanka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1840 - o1841
• a: 9.828 ± 0.001 Å
• b: 6.849 ± 0.001 Å
• c: 17.634 ± 0.001 Å
• α: 90°
• β: 96.36 ± 0.01°
• γ: 90°
• Cell volume: 1179.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes