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Information card for entry 4071598
Preview
| Coordinates | 4071598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 F O Si |
|---|---|
| Calculated formula | C25 H21 F O Si |
| SMILES | [Si](F)(c1c2c(C3c4c(Oc5c3cccc5)cccc4)cccc2ccc1)(C)C |
| Title of publication | R3C−H→ SiFR3Agostic Interaction |
| Authors of publication | Dorsey, Christopher L.; Gabbaï, François P. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3065 |
| a | 8.545 ± 0.002 Å |
| b | 9.429 ± 0.002 Å |
| c | 13.712 ± 0.005 Å |
| α | 97.067 ± 0.005° |
| β | 97.216 ± 0.005° |
| γ | 115.932 ± 0.003° |
| Cell volume | 965.9 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071598.cif |
| 178604 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15. |
4071598.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071598.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071598.cif |
| 43938 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071598 via cif-deposit CGI script. |
4071598.cif |
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Users of the data should acknowledge the original authors of the
structural data.