Information card for entry 1544037

Structure parameters

• Chemical name: Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<i>D</i>-glucopyranoside
• Formula: C23 H25 N O10
• Calculated formula: C23 H25 N O10
• SMILES: O(C(=O)C)[C@@H]1[C@@H](N2C(=O)c3c(C2=O)cccc3)[C@@H](O[C@@H]([C@H]1OC(=O)C)COC(=O)C)OCC=C
• Title of publication: Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranoside
• Authors of publication: Curran, Hannah; Zhang, Chenyao; Piro, Nicholas A.; Kassel, W. Scott; Giuliano, Robert M.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161363
• a: 5.6873 ± 0.0001 Å
• b: 13.809 ± 0.0003 Å
• c: 29.7776 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338.61 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0505
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes