Information card for entry 2209999

Structure parameters

• Chemical name: 2,3,5,-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-D-ribofuranose
• Formula: C13 H19 Cl O8
• Calculated formula: C13 H19 Cl O8
• SMILES: ClCCO[C@H]1[C@@H]([C@@H]([C@@H](COC(=O)C)O1)OC(=O)C)OC(=O)C
• Title of publication: 2,3,5-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-<small>D</small>-ribofuranose
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Mahmood, Azad; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3151 - o3153
• a: 7.3407 ± 0.0005 Å
• b: 13.5532 ± 0.0014 Å
• c: 15.4384 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0461
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes