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Information card for entry 4084201
Preview
| Coordinates | 4084201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 O12 P W |
|---|---|
| Calculated formula | C25 H19 O12 P W |
| SMILES | [W]([P@]1(c2ccccc2)[C@@H]2[C@](C)([C@@]3(C1=CC(=O)[C@]1([C@]3(C(=O)OC)O1)C(=O)OC)C)O2)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]1(c2ccccc2)[C@H]2[C@@](C)([C@]3(C1=CC(=O)[C@@]1([C@@]3(C(=O)OC)O1)C(=O)OC)C)O2)(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 | 9.3976 ± 0.0009 Å |
| b | 10.0987 ± 0.0011 Å |
| c | 14.5996 ± 0.0013 Å |
| α | 108.019 ± 0.005° |
| β | 101.382 ± 0.005° |
| γ | 91.405 ± 0.005° |
| Cell volume | 1286.2 ± 0.2 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 | 0.0985 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178731 (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 4/08/42. |
4084201.cif |
| 123100 | 2014-09-06 | cif/ Updating files of 4084198, 4084199, 4084200, 4084201, 4084202 Original log message: Adding full bibliography for 4084198--4084202.cif. |
4084201.cif |
| 122155 | 2014-08-18 | cif/ Adding structures of 4084198, 4084199, 4084200, 4084201, 4084202 via cif-deposit CGI script. |
4084201.cif |
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Users of the data should acknowledge the original authors of the
structural data.