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Information card for entry 1560227
Preview
| Coordinates | 1560227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 O3 P2 W |
|---|---|
| Calculated formula | C29 H36 O3 P2 W |
| SMILES | [W]123([P](c4c(cccc4)[C]2#[C]3c2c(cccc2)[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O] |
| Title of publication | A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation |
| Authors of publication | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 3693 - 3701 |
| a | 15.652 ± 0.0007 Å |
| b | 16.072 ± 0.0007 Å |
| c | 22.3038 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5610.7 ± 0.5 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263670 (current) | 2021-04-05 | cif/ Updating files of 1560218, 1560219, 1560220, 1560221, 1560222, 1560223, 1560224, 1560225, 1560226, 1560227, 1560228, 1560229, 1560230, 1560231, 1560232, 1560233 Original log message: Adding full bibliography for 1560218--1560233.cif. |
1560227.cif |
| 261315 | 2021-01-30 | cif/ Adding structures of 1560218, 1560219, 1560220, 1560221, 1560222, 1560223, 1560224, 1560225, 1560226, 1560227, 1560228, 1560229, 1560230, 1560231, 1560232, 1560233 via cif-deposit CGI script. |
1560227.cif |
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Users of the data should acknowledge the original authors of the
structural data.