Information card for entry 2010145

Structure parameters

• Formula: C12 H15 I O6
• Calculated formula: C12 H15 I O6
• SMILES: OC[C@H]1O[C@@H](Oc2ccccc2I)[C@@H]([C@H]([C@H]1O)O)O
• Title of publication: 1-<i>O</i>-(2-Iodophenyl)-β-<small>D</small>-galactopyranose
• Authors of publication: Banerjee, R.; Das, K.; Ganesh, V.; Banerjee, P.; Surolia, A.; Vijayan, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1726 - 1728
• a: 10.049 ± 0.002 Å
• b: 4.679 ± 0.001 Å
• c: 14.429 ± 0.001 Å
• α: 90°
• β: 107.28 ± 0.03°
• γ: 90°
• Cell volume: 647.8 ± 0.2 ų
• Cell temperature: 296 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 significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 0.715
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No