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Information card for entry 7006881
Preview
| Coordinates | 7006881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | lithium 2,6-di-t-butyl-4cyanophenoxide pyridine |
|---|---|
| Formula | C25 H30 Li N3 O |
| Calculated formula | C25 H30 Li N3 O |
| Title of publication | 4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation. |
| Authors of publication | MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 15 |
| Pages of publication | 1875 - 1884 |
| a | 9.274 ± 0.0001 Å |
| b | 14.933 ± 0.0002 Å |
| c | 17.349 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2402.64 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006881.cif |
| 179772 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68. |
7006881.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006881.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006881.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006881.cif |
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Users of the data should acknowledge the original authors of the
structural data.