Information card for entry 8102290

Structure parameters

• Chemical name: methyl 3-O-acetyl-2-acetylamino-2,6-dideoxy-6-iodo-a-D-glucopyranoside
• Formula: C11 H18 I N O6
• Calculated formula: C11 H18 I N O6
• SMILES: IC[C@H]1O[C@@H]([C@H](NC(=O)C)[C@@H](OC(=O)C)[C@@H]1O)OC
• Title of publication: Crystal structure of methyl 3-O-acetyl-2-acetylamino-2,6-dideoxy-6-iodo-α-D-glucopyranoside, C11H18INO6
• Authors of publication: Wolfgang Frey; Robert Sardzik; Volker Jäger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 255
• a: 7.718 ± 0.002 Å
• b: 9.419 ± 0.003 Å
• c: 10.7547 ± 0.0019 Å
• α: 90°
• β: 104.733 ± 0.018°
• γ: 90°
• Cell volume: 756.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No