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Information card for entry 1551463
Preview
| Coordinates | 1551463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H40 O6 P2 Si |
|---|---|
| Calculated formula | C24 H38 O6 P2 Si |
| SMILES | c12c(cccc1)O[Si]1(O2)([O]=P(CC)(CC)CC)(Oc2c(cccc2)O1)[O]=P(CC)(CC)CC |
| Title of publication | Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity |
| Authors of publication | Hartmann, Deborah; Schädler, Marcel; Greb, Lutz |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.85 ± 0.0016 Å |
| b | 8.484 ± 0.0017 Å |
| c | 10.295 ± 0.002 Å |
| α | 83.8 ± 0.03° |
| β | 73.07 ± 0.03° |
| γ | 83.17 ± 0.03° |
| Cell volume | 649.3 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0814 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216033 (current) | 2019-06-18 | cif/ Adding structures of 1551458, 1551459, 1551460, 1551461, 1551462, 1551463, 1551464, 1551465, 1551466, 1551467, 1551468, 1551469 via cif-deposit CGI script. |
1551463.cif |
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Users of the data should acknowledge the original authors of the
structural data.