Information card for entry 2241375

Structure parameters

• Chemical name: 3-<i>O</i>-Benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-erythrofuranose
• Formula: C23 H25 N3 O4
• Calculated formula: C23 H25 N3 O4
• SMILES: O1[C@H]2[C@@H]([C@@H]([C@H]1c1cn(nn1)Cc1ccccc1)OCc1ccccc1)OC(O2)(C)C
• Title of publication: Crystal structure of 3-<i>O</i>-benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-erythrofuranose
• Authors of publication: Semjonovs, Nikita; Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1542 - 1544
• a: 9.5276 ± 0.0002 Å
• b: 10.003 ± 0.0002 Å
• c: 21.9495 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091.89 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1217
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes