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Information card for entry 1561479
Preview
| Coordinates | 1561479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Chloropentaphenyldisiloxane |
|---|---|
| Formula | C30 H25 Cl O Si2 |
| Calculated formula | C30 H25 Cl O Si2 |
| SMILES | [Si](O[Si](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane |
| Authors of publication | Bauer, Jonathan O.; Götz, Tobias |
| Journal of publication | Chemistry |
| Year of publication | 2021 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 444 - 453 |
| a | 10.6741 ± 0.0002 Å |
| b | 14.2858 ± 0.0002 Å |
| c | 17.5012 ± 0.0003 Å |
| α | 90° |
| β | 99.597 ± 0.002° |
| γ | 90° |
| Cell volume | 2631.37 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.39222 Å |
| Diffraction radiation type | CuKβ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1561479.cif |
| 263865 | 2021-04-05 | cif/ Adding structures of 1561479 via cif-deposit CGI script. |
1561479.cif |
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Users of the data should acknowledge the original authors of the
structural data.