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Information card for entry 4084198
Preview
| Coordinates | 4084198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 O10 P2 W2 |
|---|---|
| Calculated formula | C30 H20 O10 P2 W2 |
| SMILES | [W]([P@@]1(C=C(C)C(=C1[C@H]1[P@@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C1)c1ccccc1)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]1(C=C(C)C(=C1[C@@H]1[P@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C1)c1ccccc1)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation |
| Authors of publication | Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 16 |
| Pages of publication | 4245 |
| a | 10.5975 ± 0.0004 Å |
| b | 11.3475 ± 0.0004 Å |
| c | 14.5752 ± 0.0005 Å |
| α | 73.5805 ± 0.0015° |
| β | 80.4996 ± 0.0015° |
| γ | 68.8731 ± 0.0015° |
| Cell volume | 1564.34 ± 0.1 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178730 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/41. |
4084198.cif |
| 123100 | 2014-09-06 | cif/ Updating files of 4084198, 4084199, 4084200, 4084201, 4084202 Original log message: Adding full bibliography for 4084198--4084202.cif. |
4084198.cif |
| 122155 | 2014-08-18 | cif/ Adding structures of 4084198, 4084199, 4084200, 4084201, 4084202 via cif-deposit CGI script. |
4084198.cif |
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Users of the data should acknowledge the original authors of the
structural data.