Information card for entry 2203284

Structure parameters

• Chemical name: Methyl 3,4-di-O-pivaloyl-β-D-xylopyranoside
• Formula: C16 H28 O7
• Calculated formula: C16 H28 O7
• SMILES: O1[C@@H](OC)[C@H](O)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)C1
• Title of publication: Methyl 3,4-di-<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: 3
• Pages of publication: o378 - o380
• a: 19.111 ± 0.003 Å
• b: 5.9619 ± 0.0011 Å
• c: 18.726 ± 0.002 Å
• α: 90°
• β: 119.337 ± 0.012°
• γ: 90°
• Cell volume: 1860 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes