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Information card for entry 4072290
Preview
| Coordinates | 4072290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H18 N3 P S |
|---|---|
| Calculated formula | C18 H18 N3 P S |
| SMILES | N(C)(C)/C=N/c1ncc(s1)P(c1ccccc1)c1ccccc1 |
| Title of publication | Thiazolyl Phosphine Ligands for Copper-Catalyzed Arylation and Vinylation of Nucleophiles in Organic and Aqueous Media |
| Authors of publication | Oshovsky, Gennady V.; Ouali, Armelle; Xia, Ning; Zablocka, Maria; Boeré, René T.; Duhayon, Carine; Taillefer, Marc; Majoral, Jean Pierre |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5733 |
| a | 13.7417 ± 0.0013 Å |
| b | 8.8007 ± 0.0009 Å |
| c | 15.3125 ± 0.0015 Å |
| α | 90° |
| β | 111.659 ± 0.011° |
| γ | 90° |
| Cell volume | 1721.1 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 5 |
| 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1308 |
| 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. |
4072290.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4072290.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072290.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072290.cif |
| 44333 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072290 via cif-deposit CGI script. |
4072290.cif |
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Users of the data should acknowledge the original authors of the
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