Information card for entry 2228493

Structure parameters

• Common name: Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-phthalimido-1- thio-β-D-glucopyranoside
• Chemical name: Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-(1,3-dioxo-2,3-dihydro- 1H-isoindol-2-yl)-1-thio-β-D-glucopyranoside
• Formula: C30 H31 N O6 S
• Calculated formula: C30 H31 N O6 S
• SMILES: S(CC)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc1ccccc1)O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O
• Title of publication: Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-phthalimido-1-thio-β-<small>D</small>-glucopyranoside
• Authors of publication: Hamark, Christoffer; Landström, Jens; Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3250 - o3251
• a: 8.5313 ± 0.0001 Å
• b: 14.7728 ± 0.0002 Å
• c: 21.194 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2671.11 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes