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Information card for entry 7056233
Preview
| Coordinates | 7056233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H24 O8 P2 |
|---|---|
| Calculated formula | C36 H24 O8 P2 |
| SMILES | c1(ccccc1OP1(=O)Oc2ccccc2c2ccccc2O1)c1ccccc1OP1(=O)Oc2ccccc2c2ccccc2O1 |
| Title of publication | Pure phosphotriesters as versatile ligands in transition metal catalysis: efficient hydrosilylation of ketones and diethylzinc addition to aldehydes |
| Authors of publication | Bouhachicha, M.; Ngo Ndimba, A.; Roisnel, T.; Lalli, C.; Argouarch, G. |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 11.0531 ± 0.0005 Å |
| b | 12.0593 ± 0.0006 Å |
| c | 12.8518 ± 0.0007 Å |
| α | 63.248 ± 0.002° |
| β | 75.096 ± 0.002° |
| γ | 88.79 ± 0.002° |
| Cell volume | 1469.31 ± 0.13 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196969 (current) | 2017-05-25 | cif/ Adding structures of 7056233 via cif-deposit CGI script. |
7056233.cif |
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Users of the data should acknowledge the original authors of the
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