Information card for entry 2222907

Structure parameters

• Chemical name: 6-deoxy-6-iodo-1,2:3,4-di-<i>O</i>-isopropylidene-α-D-galactopyranoside
• Formula: C12 H19 I O5
• Calculated formula: C12 H19 I O5
• SMILES: IC[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]2OC(O[C@@H]12)(C)C)(C)C
• Title of publication: An orthorhombic polymorph of 6-deoxy-6-iodo-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-galactopyranoside
• Authors of publication: Fun, Hoong-Kun; Liew, Wei-Ching; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1999 - o2000
• a: 7.3595 ± 0.0001 Å
• b: 11.5145 ± 0.0002 Å
• c: 16.9945 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.13 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.048
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes