Information card for entry 2222689

Structure parameters

• Chemical name: 4-Butyl-1-(2,3,4-tri-<i>O</i>-acetyl-β-<i>L</i>-fucopyranosyl)-1<i>H</i>-1,2,3-triazole
• Formula: C18 H27 N3 O7
• Calculated formula: C18 H27 N3 O7
• SMILES: CCCCc1nnn(c1)[C@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: 4-Butyl-1-(2,3,4-tri-<i>O</i>-acetyl-β-<small>L</small>-fucopyranosyl)-1<i>H</i>-1,2,3-triazole
• Authors of publication: Alhassan, Abdul-Basit; Norris, Peter; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1992 - o1993
• a: 5.5173 ± 0.0003 Å
• b: 7.7442 ± 0.0004 Å
• c: 24.1013 ± 0.0013 Å
• α: 94.507 ± 0.001°
• β: 96.151 ± 0.001°
• γ: 91.227 ± 0.001°
• Cell volume: 1020.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes