Information card for entry 2238578

Structure parameters

• Chemical name: Methyl 6-deoxy-6-iodo-2,3-<i>O</i>-isopropylidene-α-<i>D</i>-mannopyranoside
• Formula: C10 H17 I O5
• Calculated formula: C10 H17 I O5
• SMILES: CO[C@H]1O[C@H](CI)[C@H]([C@H]2[C@@H]1OC(O2)(C)C)O
• Title of publication: Methyl 6-deoxy-6-iodo-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-mannopyranoside
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Çaylak Delibaş, Nagihan; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1449 - o1450
• a: 8.3121 ± 0.0008 Å
• b: 10.3911 ± 0.001 Å
• c: 8.3128 ± 0.0008 Å
• α: 90°
• β: 118.639 ± 0.003°
• γ: 90°
• Cell volume: 630.15 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes