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Information card for entry 2003469
Preview
| Coordinates | 2003469.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho- [1,2 c] furan |
|---|---|
| Formula | C17 H30 O Si2 |
| Calculated formula | C17 H30 O Si2 |
| SMILES | [Si]1(OC[C@@H]2C1=C1CCCCC1=C([C@@H]2C)[Si](C)(C)C)(C)C.[Si]1(OC[C@H]2C1=C1CCCCC1=C([C@H]2C)[Si](C)(C)C)(C)C |
| Title of publication | <i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K |
| Authors of publication | Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 5 |
| Pages of publication | 891 - 892 |
| a | 17.721 ± 0.002 Å |
| b | 19.714 ± 0.002 Å |
| c | 10.49 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3664.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for all reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Goodness-of-fit parameter for all reflections | 1.068 |
| Goodness-of-fit parameter for significantly intense reflections | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2003469.html
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Users of the data should acknowledge the original authors of the
structural data.