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Information card for entry 7003662
Preview
| Coordinates | 7003662.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C25 H28 F3 O3 P S |
|---|---|
| Calculated formula | C25 H28 F3 O3 P S |
| SMILES | c1(c(C)cc(C)cc1C)[P+](C)(C)C(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Chemical functionality of poly(methylenephosphine): phosphine–borane adducts and methylphosphonium ionomers |
| Authors of publication | Noonan, Kevin J. T.; Feldscher, Bastian; Bates, Joshua I.; Kingsley, Justin J.; Yam, Mandy; Gates, Derek P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 33 |
| Pages of publication | 4451 - 4457 |
| a | 10.118 ± 0.005 Å |
| b | 17.583 ± 0.005 Å |
| c | 13.314 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 98.166 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2344.6 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7003662.cif |
| 202017 | 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. |
7003662.cif |
| 179740 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36. |
7003662.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003662.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003662.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003662.cif |
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Users of the data should acknowledge the original authors of the
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