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Information card for entry 4080908
Preview
| Coordinates | 4080908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H42 O Si4 |
|---|---|
| Calculated formula | C40 H42 O Si4 |
| SMILES | C[Si](C)(O[Si](C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | (Me3N)Mo(CO)5-Catalyzed Reduction of DMF by Disiloxane and Disilane Moieties: Fate of the Silicon-Containing Fragments |
| Authors of publication | Sharma, Hemant K.; Arias-Ugarte, Renzo; Tomlinson, David; Gappa, Rie; Metta-Maga Alejandro J.; Ito, Haruhiko; Pannell, Keith H. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 14 |
| Pages of publication | 3788 |
| a | 16.799 ± 0.004 Å |
| b | 9.713 ± 0.002 Å |
| c | 23.059 ± 0.006 Å |
| α | 90° |
| β | 90.016 ± 0.003° |
| γ | 90° |
| Cell volume | 3762.5 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2202 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.694 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080908.cif |
| 178698 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/09. |
4080908.cif |
| 87946 | 2013-08-27 | cif/ Adding structures of 4080908, 4080909, 4080910 via cif-deposit CGI script. |
4080908.cif |
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Users of the data should acknowledge the original authors of the
structural data.