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Information card for entry 4320422
Preview
| Coordinates | 4320422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C6 H12 O4 S |
|---|---|
| Calculated formula | C6 H12 O4 S |
| SMILES | S1(=O)(=O)O[C@@H](C)CC[C@@H](O1)C |
| Title of publication | Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties |
| Authors of publication | Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5626 - 5635 |
| a | 6.515 ± 0.003 Å |
| b | 11.386 ± 0.005 Å |
| c | 11.817 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 876.6 ± 0.6 Å3 |
| Cell temperature | 238 ± 2 K |
| Ambient diffraction temperature | 238 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0494 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4320422.cif |
| 179307 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/04. |
4320422.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320422.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320422.cif |
| 17330 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320422 via cif-deposit CGI script. |
4320422.cif |
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Users of the data should acknowledge the original authors of the
structural data.