Information card for entry 2242514

Structure parameters

• Common name: 5-Azido-3-<i>O</i>-benzyl-5-deoxy-1,2-<i>O</i>-isopropylidene-6-<i>O</i>-triphenylmethyl-β-<i>L</i>-idofuranose
• Chemical name: (3a<i>R</i>,5<i>S</i>,6<i>S</i>,6a<i>R</i>)-5-[1-Azido-2-(trityloxy)ethyl]-6-benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxole
• Formula: C35 H35 N3 O5
• Calculated formula: C35 H35 N3 O5
• SMILES: O1[C@@H]2OC(O[C@@H]2[C@@H](OCc2ccccc2)[C@H]1[C@@H](N=N#N)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)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: 10.0943 ± 0.0001 Å
• b: 10.9625 ± 0.0001 Å
• c: 27.5392 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3047.45 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes