Information card for entry 2229126

Structure parameters

• Chemical name: 2,3,4-tri-<i>O</i>-acetyl-β-L-arabinopyranosyl trichloroacetimidate
• Formula: C13 H16 Cl3 N O8
• Calculated formula: C13 H16 Cl3 N O8
• SMILES: CC(=O)O[C@H]1[C@H](OC[C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl
• Title of publication: 2,3,4-Tri-<i>O</i>-acetyl-β-<small>L</small>-arabinopyranosyl trichloroacetimidate
• Authors of publication: Sun, Zu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o454
• a: 21.384 ± 0.005 Å
• b: 6.7994 ± 0.0016 Å
• c: 13.096 ± 0.003 Å
• α: 90°
• β: 96.796 ± 0.003°
• γ: 90°
• Cell volume: 1890.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes