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Information card for entry 2004942
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| Coordinates | 2004942.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Diiodobis(phenylsulfonyl)methane |
|---|---|
| Formula | C13 H10 I2 O4 S2 |
| Calculated formula | C13 H10 I2 O4 S2 |
| SMILES | IC(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)I |
| Title of publication | Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~ |
| Authors of publication | Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 1488 - 1490 |
| a | 6.9936 ± 0.0006 Å |
| b | 13.1255 ± 0.0012 Å |
| c | 17.988 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1651.2 ± 0.6 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 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 | 0.0964 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for all reflections | 0.1115 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Goodness-of-fit parameter for all reflections | 0.961 |
| Goodness-of-fit parameter for significantly intense reflections | 1.125 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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