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Information card for entry 2011581
Preview
| Coordinates | 2011581.cif |
|---|---|
| Structure factors | 2011581.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
Version history
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Users of the data should acknowledge the original authors of the
structural data.