Information card for entry 2214132

Structure parameters

• Chemical name: 2-[(2-Chloroethoxy)ethyl]-2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside
• Formula: C18 H27 Cl O11
• Calculated formula: C18 H27 Cl O11
• SMILES: ClCCOCCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: 2-[(2-Chloroethoxy)ethyl]-2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Xiao-Ru Zhang; Hui-Qing Zhang; Xiao-Hui Yang; Sai Bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3174 - o3174
• a: 7.5382 ± 0.0013 Å
• b: 14.195 ± 0.003 Å
• c: 21.204 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2268.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1404
• 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: Yes
• Has Fobs: Yes