Information card for entry 2218003

Structure parameters

• Chemical name: 2,3,4-Tri-<i>O</i>-acetyl-β-D-xylosyl 2,4-dichlorophenoxyacetate
• Formula: C19 H20 Cl2 O10
• Calculated formula: C19 H20 Cl2 O10
• SMILES: Clc1cc(Cl)ccc1OCC(=O)O[C@@H]1OC[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
• Title of publication: 2,3,4-Tri-<i>O</i>-acetyl-β-<small>D</small>-xylosyl 2,4-dichlorophenoxyacetate
• Authors of publication: Wang, Xiaoming; Li, Xinyuan; Yin, Yale; Pang, Yanjun; Yang, Yonghua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o669
• a: 5.6601 ± 0.0008 Å
• b: 23.129 ± 0.003 Å
• c: 8.7456 ± 0.0013 Å
• α: 90°
• β: 104.281 ± 0.002°
• γ: 90°
• Cell volume: 1109.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes