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Information card for entry 4133721
Preview
| Coordinates | 4133721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H62 Si10 |
|---|---|
| Calculated formula | C38 H62 Si10 |
| Title of publication | Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins. |
| Authors of publication | Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 44 |
| Pages of publication | 17926 - 17936 |
| a | 12.1961 ± 0.0003 Å |
| b | 12.2373 ± 0.0002 Å |
| c | 18.3114 ± 0.0004 Å |
| α | 93.9832 ± 0.0017° |
| β | 103.109 ± 0.002° |
| γ | 117.474 ± 0.002° |
| Cell volume | 2313.09 ± 0.1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4133721.cif |
| 243430 | 2019-11-26 | cif/ Adding structures of 4133721 via cif-deposit CGI script. |
4133721.cif |
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Users of the data should acknowledge the original authors of the
structural data.