Information card for entry 4029425

Structure parameters

• Common name: C-2 deoxy Glycoside
• Chemical name: Bboc-protected iodo sugar
• Formula: C20 H29 I N O11
• Calculated formula: C20 H29 I N O11
• SMILES: I[C@@H]1[C@H](O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C
• Title of publication: Hypervalent iodine mediated synthesis of C-2 deoxy glycosides and amino Acid glycoconjugates.
• Authors of publication: Islam, Maidul; Tirukoti, Nishanth D.; Nandi, Shyamapada; Hotha, Srinivas
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 10
• Pages of publication: 4470 - 4476
• a: 9.1343 ± 0.0007 Å
• b: 6.8955 ± 0.0005 Å
• c: 20.2243 ± 0.0015 Å
• α: 90°
• β: 91.191 ± 0.002°
• γ: 90°
• Cell volume: 1273.56 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No