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Information card for entry 7112158
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| Coordinates | 7112158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dimesitylsilanediol with 1,4-dimethoxybenzene solvate |
|---|---|
| Formula | C22 H29 O3 Si |
| Calculated formula | C22 H29 O3 Si |
| Title of publication | Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles |
| Authors of publication | Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K. |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3738 |
| a | 8.4092 ± 0.0002 Å |
| b | 9.022 ± 0.0002 Å |
| c | 13.4486 ± 0.0003 Å |
| α | 99.15° |
| β | 97.1° |
| γ | 93.79° |
| Cell volume | 995.77 ± 0.04 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.