Information card for entry 2238489

Structure parameters

• Chemical name: 4-Cyclopropyl-1-(6'-Deoxy-1',2'-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranosyl)-1<i>H</i>-1,2,3-triazole
• Formula: C14 H21 N3 O5
• Calculated formula: C14 H21 N3 O5
• SMILES: O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]1O)OC(O2)(C)C)Cn1nnc(c1)C1CC1
• Title of publication: 4-Cyclopropyl-1-(6'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl)-1<i>H</i>-1,2,3-triazole
• Authors of publication: Zhang, Qiurong; He, Peng; Zhou, Guangqiang; Yu, Kang; Liu, Hongmin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1386
• a: 8.5905 ± 0.0003 Å
• b: 8.7215 ± 0.0003 Å
• c: 20.7373 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1553.68 ± 0.09 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes