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Information card for entry 4063423
Preview
| Coordinates | 4063423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C27 H20 F3 O P Te |
|---|---|
| Calculated formula | C27 H20 F3 O P Te |
| SMILES | [Te](/C(=C/P(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccccc1 |
| Title of publication | Highly Selective Phosphinotelluration of Terminal Alkynes Using a (Ph2P)2–(PhTe)2Mixed System upon Visible Light Irradiation: Straightforward Access to 1-Phosphino-2-telluro-alkenes |
| Authors of publication | Kawaguchi, Shin-ichi; Ohe, Takashi; Shirai, Takamune; Nomoto, Akihiro; Sonoda, Motohiro; Ogawa, Akiya |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 312 - 316 |
| a | 13.39 ± 0.007 Å |
| b | 6.393 ± 0.003 Å |
| c | 29.221 ± 0.011 Å |
| α | 90° |
| β | 93.13 ± 0.02° |
| γ | 90° |
| Cell volume | 2498 ± 2 Å3 |
| Cell temperature | 296.1 K |
| Ambient diffraction temperature | 296.1 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 significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063423.cif |
| 201982 | 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. |
4063423.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. |
4063423.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063423.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063423.cif |
| 19024 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4063423 via cif-deposit CGI script. |
4063423.cif |
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Users of the data should acknowledge the original authors of the
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