Information card for entry 2011581

Structure parameters

• Formula: C36 H44 I2 O6 P2
• Calculated formula: C36 H44 I2 O6 P2
• SMILES: [I-].[I-].[P](O[C@H]1[C@H](O[P](C)(c2ccccc2)c2ccccc2)[C@@H](OC)[C@@H](OC)[C@H](OC)[C@@H]1OC)(C)(c1ccccc1)c1ccccc1
• Title of publication: 1<small>D</small>-3,4-Di-<i>O</i>-(diphenylmethylphosphonio)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol diiodide
• Authors of publication: Gainsford, Graeme J.; Lensink, Cornelis; Hart, Joanne B.; Falshaw, Andrew
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1396 - 1398
• a: 10.306 ± 0.003 Å
• b: 12.953 ± 0.004 Å
• c: 28.826 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3848 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes