Information card for entry 7113773

Structure parameters

• Formula: C22 H35 I O9
• Calculated formula: C22 H35 I O9
• SMILES: [C@H]1([C@@H]([C@H]([C@@H]([C@@H](C(=O)OC)O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)I
• Title of publication: Preparation, X-ray structure and reactivity of a stable glycosyl iodide
• Authors of publication: Bickley, Jamie; Cottrell, Jennifer A.; Ferguson, John R.; Field, Robert A.; Harding, John R.; Hughes, David L.; Ravindanathan Kartha, K. P.; Law, Jayne L.; Scheinmann, Feodor; Stachulski, Andrew V.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 1266 - 1267
• a: 9.6982 ± 0.0016 Å
• b: 11.4712 ± 0.0019 Å
• c: 22.658 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2520.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0212
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103682
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No