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Information card for entry 2241889
Preview
| Coordinates | 2241889.cif |
|---|---|
| Structure factors | 2241889.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-[Diazene-1,2-diylbis(4,1-phenylene)]bis(dimethylsilanol) |
|---|---|
| Formula | C16 H22 N2 O2 Si2 |
| Calculated formula | C16 H22 N2 O2 Si2 |
| SMILES | c1(ccc(cc1)[Si](O)(C)C)/N=N/c1ccc(cc1)[Si](O)(C)C |
| Title of publication | Crystal structures of 3,3'-bis(hydroxydimethylsilanyl)azobenzene and 4,4'-bis(hydroxydimethylsilane)azobenzene |
| Authors of publication | Strüben, Jan; Hoffmann, Jonas; Presa-Soto, David; Näther, Christian; Staubitz, Anne |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 1590 - 1594 |
| a | 17.8705 ± 0.0004 Å |
| b | 10.0016 ± 0.0003 Å |
| c | 20.5323 ± 0.0005 Å |
| α | 90° |
| β | 97.013 ± 0.002° |
| γ | 90° |
| Cell volume | 3642.36 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241889.cif 2241889.hkl |
| 187404 | 2016-10-19 | cif/ hkl/ Adding structures of 2241888, 2241889 via cif-deposit CGI script. |
2241889.cif 2241889.hkl |
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Users of the data should acknowledge the original authors of the
structural data.