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Information card for entry 4078864
Preview
| Coordinates | 4078864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C65 H72 N2 O2 Si3 |
|---|---|
| Calculated formula | C65 H72 N2 O2 Si3 |
| SMILES | [SiH](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)N(/C(=C/C(=N/c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Reactivity Studies of a Stable N-Heterocyclic Silylene with Triphenylsilanol and Pentafluorophenol |
| Authors of publication | Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Granitzka, Markus; Stalke, Dietmar |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5506 |
| a | 13.865 ± 0.002 Å |
| b | 14.152 ± 0.002 Å |
| c | 15.025 ± 0.003 Å |
| α | 77.7 ± 0.02° |
| β | 82.64 ± 0.02° |
| γ | 84.99 ± 0.03° |
| Cell volume | 2851.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
4078864.cif |
| 178677 | 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 4/07/88. |
4078864.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078864.cif |
| 66419 | 2012-09-09 | cif/ Adding structures of 4078864 via cif-deposit CGI script. |
4078864.cif |
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Users of the data should acknowledge the original authors of the
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