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Information card for entry 1506055
Preview
| Coordinates | 1506055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H50 O P2 Pt |
|---|---|
| Calculated formula | C48 H50 O P2 Pt |
| SMILES | c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pt]1(C2C[C@@]3(C)[C@@](C)(C2)CC1(C3)OCC)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex. |
| Authors of publication | Theophanous, Fanitsa A.; Tasiopoulos, Anastasios J.; Nicolaides, Athanassios; Zhou, Xin; Johnson, William T. G.; Borden, Weston Thatcher |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 14 |
| Pages of publication | 3001 - 3004 |
| a | 18.5273 ± 0.0007 Å |
| b | 10.3442 ± 0.0005 Å |
| c | 21.1903 ± 0.001 Å |
| α | 90° |
| β | 105.931 ± 0.004° |
| γ | 90° |
| Cell volume | 3905.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0275 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections included in the refinement | 0.0449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506055.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506055.cif |
| 47959 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506055 via cif-deposit CGI script. |
1506055.cif |
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Users of the data should acknowledge the original authors of the
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