Information card for entry 2236033

Structure parameters

• Chemical name: 3,4,6-Tri-<i>O</i>-acetyl-1,2-[(<i>S</i>)-ethylidene]-β-<i>D</i>- mannopyranose
• Formula: C14 H20 O9
• Calculated formula: C14 H20 O9
• SMILES: CC(=O)O[C@H]1[C@@H]([C@@H](COC(=O)C)O[C@@H]2[C@H]1O[C@H](C)O2)OC(=O)C
• Title of publication: 3,4,6-Tri-<i>O</i>-acetyl-1,2-[(<i>S</i>)-ethylidene]-β-<small>D</small>-mannopyranose
• Authors of publication: Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2520
• a: 7.0494 ± 0.0003 Å
• b: 14.6994 ± 0.0007 Å
• c: 15.3608 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.72 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes