Information card for entry 2242513

Structure parameters

• Common name: 3-<i>O</i>-Benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-\ <i>O</i>-triphenylmethyl-α-<i>D</i>-glucofuranose
• Chemical name: 1-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-Benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl]-2-(trityloxy)ethyl methanesulfonate
• Formula: C36 H38 O8 S
• Calculated formula: C36 H38 O8 S
• SMILES: S(=O)(=O)(O[C@@H]([C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OCc1ccccc1)(C)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product
• Authors of publication: Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 862 - 867
• a: 10.0069 ± 0.0005 Å
• b: 10.1898 ± 0.0007 Å
• c: 32.0045 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3263.4 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.1368
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.3507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes