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Information card for entry 4115397
Preview
| Coordinates | 4115397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tris[di-tert-butyl(methyl)silyl]silyllithium (THF)4 |
|---|---|
| Formula | C43 H95 Li O4 Si4 |
| Calculated formula | C43 H95 Li O4 Si4 |
| SMILES | [Si]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction |
| Authors of publication | Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 15160 - 15161 |
| a | 14.829 ± 0.005 Å |
| b | 20.776 ± 0.006 Å |
| c | 16.806 ± 0.003 Å |
| α | 90° |
| β | 93.628 ± 0.015° |
| γ | 90° |
| Cell volume | 5167 ± 2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.246 |
| Residual factor for significantly intense reflections | 0.0775 |
| Weighted residual factors for significantly intense reflections | 0.1735 |
| Weighted residual factors for all reflections included in the refinement | 0.2247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.771 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4115397.cif |
| 178924 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/53. |
4115397.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115397.cif |
| 68867 | 2012-11-21 | cif/ Adding structures of 4115397 via cif-deposit CGI script. |
4115397.cif |
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