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Information card for entry 2241888
Preview
| Coordinates | 2241888.cif |
|---|---|
| Structure factors | 2241888.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-[Diazene-1,2-diylbis(3,1-phenylene)]bis(dimethylsilanol) |
|---|---|
| Formula | C16 H22 N2 O2 Si2 |
| Calculated formula | C16 H22 N2 O2 Si2 |
| 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 | 6.6731 ± 0.0004 Å |
| b | 9.8806 ± 0.0006 Å |
| c | 21.4108 ± 0.001 Å |
| α | 83.992 ± 0.004° |
| β | 82.81 ± 0.004° |
| γ | 87.508 ± 0.005° |
| Cell volume | 1392.25 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0758 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
2241888.cif 2241888.hkl |
| 187404 | 2016-10-19 | cif/ hkl/ Adding structures of 2241888, 2241889 via cif-deposit CGI script. |
2241888.cif 2241888.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.