Information card for entry 2232873

Structure parameters

• Chemical name: Prop-2-yn-1-yl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-α-D-<i>erythro</i>-hex-2- enopyranoside
• Formula: C13 H16 O6
• Calculated formula: C13 H16 O6
• SMILES: [C@H]1(C=C[C@@H]([C@@H](COC(=O)C)O1)OC(=O)C)OCC#C
• Title of publication: Prop-2-yn-1-yl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-α-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside
• Authors of publication: Mesfin, Fanuel M.; Kinfe, Henok H.; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3308
• a: 5.2277 ± 0.0002 Å
• b: 14.8549 ± 0.0005 Å
• c: 17.0509 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1324.12 ± 0.08 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: 0.0243
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes