Information card for entry 2210310

Structure parameters

• Chemical name: 2,3,4,6-tetra-O-acetyl-2-chloroethyl-β-D-galactopyranoside
• Formula: C16 H23 Cl O10
• Calculated formula: C16 H23 Cl O10
• SMILES: ClCCO[C@@H]1O[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C
• Title of publication: 2,3,4,6-Tetra-<i>O</i>-acetyl-2-chloroethyl-β-<small>D</small>-galactopyranoside
• Authors of publication: Xiao-Ru Zhang; Xiao-Hui Yang; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3657 - o3659
• a: 10.554 ± 0.002 Å
• b: 9.708 ± 0.002 Å
• c: 10.599 ± 0.003 Å
• α: 90°
• β: 103.299 ± 0.003°
• γ: 90°
• Cell volume: 1056.8 ± 0.4 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: 0.0585
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes