Information card for entry 2226584

Structure parameters

• Common name: Methyl 6-deoxy-6-iodo-α-D-galactoside
• Chemical name: Methyl 6-deoxy-6-iodo-α-D-galactoside
• Formula: C7 H13 I O5
• Calculated formula: C7 H13 I O5
• SMILES: IC[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
• Title of publication: Methyl 6-deoxy-6-iodo-α-<small>D</small>-galactoside
• Authors of publication: Gulab, Shivali A.; Cheng, Janice M. H.; Timmer, Mattie S. M.; Stocker, Bridget L.; Gainsford, Graeme J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1724
• a: 5.7745 ± 0.0002 Å
• b: 7.9055 ± 0.0003 Å
• c: 22.1835 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1012.68 ± 0.06 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes