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Information card for entry 7014631
Preview
| Coordinates | 7014631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | thiodiethanol-S-oxide |
|---|---|
| Formula | C4 H10 O3 S |
| Calculated formula | C4 H10 O3 S |
| SMILES | O=S(CCO)CCO |
| Title of publication | Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing. |
| Authors of publication | Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 8 |
| Pages of publication | 1743 - 1750 |
| a | 11.0805 ± 0.0004 Å |
| b | 4.7871 ± 0.0002 Å |
| c | 12.3153 ± 0.0005 Å |
| α | 90° |
| β | 103.964 ± 0.002° |
| γ | 90° |
| Cell volume | 633.94 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7014631.cif |
| 179850 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/46. |
7014631.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014631.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014631.cif |
| 14807 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014624, 7014625, 7014626, 7014627, 7014628, 7014629, 7014630, 7014631 via cif-deposit CGI script. |
7014631.cif |
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Users of the data should acknowledge the original authors of the
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