Information card for entry 2005858

Structure parameters

• Chemical name: 5-Deoxy-1,2-O-isopropylidene-5-C-(5-carboethoxy-1,2,3-triazol-1-yl)- α-D-xylofuranose
• Formula: C13 H19 N3 O6
• Calculated formula: C13 H19 N3 O6
• SMILES: CCOC(=O)c1cnnn1C[C@H]1O[C@H]2[C@@H]([C@H]1O)OC(O2)(C)C
• Title of publication: 5-Deoxy-5-<i>C</i>-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-xylofuranose
• Authors of publication: Horton, D.; Levine, B. R.; Norris, P.; Luck, R. L.; Silverton, J. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 120 - 122
• a: 9.493 ± 0.001 Å
• b: 11.426 ± 0.001 Å
• c: 14.932 ± 0.002 Å
• α: 90°
• β: 102.77 ± 0.01°
• γ: 90°
• Cell volume: 1579.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 2.19
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: copperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No