Information card for entry 2237158

Structure parameters

• Chemical name: 1-<i>O</i>-Acetyl-3,4,6-tri-<i>O</i>-benzyl-2-<i>C</i>-bromomethyl- 2-deoxy-α-<i>D</i>-glucopyranose
• Formula: C30 H33 Br O6
• Calculated formula: C30 H33 Br O6
• SMILES: BrC[C@H]1[C@H](O[C@@H]([C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)COCc1ccccc1)OC(=O)C
• Title of publication: 1-<i>O</i>-Acetyl-3,4,6-tri-<i>O</i>-benzyl-2-<i>C</i>-bromomethyl-2-deoxy-α-<small>D</small>-glucopyranose
• Authors of publication: Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o73
• a: 5.5097 ± 0.0004 Å
• b: 19.9357 ± 0.0011 Å
• c: 24.4597 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686.6 ± 0.3 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: 0.0469
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes