Information card for entry 2211025

Structure parameters

• Chemical name: 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-tetrachlorophthalimido-α-D-glucopyranoside
• Formula: C22 H19 Cl4 N O11
• Calculated formula: C22 H19 Cl4 N O11
• SMILES: CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl
• Title of publication: 1,3,4,6-Tetra-<i>O</i>-acetyl-2-deoxy-2-tetrachlorophthalimido-α-<small>D</small>-glucopyranoside
• Authors of publication: Yu, Chu-Yi; Qiao, Yan; Gao, Hong-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5123 - o5124
• a: 5.5347 ± 0.0013 Å
• b: 18.709 ± 0.0017 Å
• c: 25.559 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2646.6 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes