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Information card for entry 2242046
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| Coordinates | 2242046.cif |
|---|---|
| Structure factors | 2242046.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1,2,2-Tetraisopropyl-1,2-diphenyldisilane |
|---|---|
| Formula | C24 H38 Si2 |
| Calculated formula | C24 H38 Si2 |
| SMILES | [Si]([Si](C(C)C)(C(C)C)c1ccccc1)(C(C)C)(C(C)C)c1ccccc1 |
| Title of publication | Crystal structures of three sterically congested disilanes |
| Authors of publication | Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 448 - 452 |
| a | 19.8418 ± 0.0014 Å |
| b | 8.2554 ± 0.0006 Å |
| c | 28.454 ± 0.002 Å |
| α | 90° |
| β | 97.838 ± 0.001° |
| γ | 90° |
| Cell volume | 4617.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192759 (current) | 2017-03-02 | cif/ hkl/ Adding structures of 2242046, 2242047, 2242048 via cif-deposit CGI script. |
2242046.cif 2242046.hkl |
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Users of the data should acknowledge the original authors of the
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