Information card for entry 2215982

Structure parameters

• Chemical name: 1,5-Anhydro-2,3,4,6-tetra-O-acetyl-D-lyxo-hex-1-enitol
• Formula: C14 H18 O9
• Calculated formula: C14 H18 O9
• SMILES: O1C=C(OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: 1,5-Anhydro-2,3,4,6-tetra-<i>O</i>-acetyl-<small>D</small>-<i>lyxo</i>-hex-1-enitol
• Authors of publication: Yan Zhang; Jiong Jia; Li-Na Pang; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4321 - o4321
• a: 5.5438 ± 0.0009 Å
• b: 12.234 ± 0.002 Å
• c: 24.312 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1648.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes