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Information card for entry 7007278
Preview
| Coordinates | 7007278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H62 Na2 O10 |
|---|---|
| Calculated formula | C52 H62 Na2 O10 |
| SMILES | [Na]12([O](C)CC[O]1C)[O](c1c(cccc1Cc1c(OC)cccc1)Cc1c(OC)cccc1)[Na]1([O]2c2c(cccc2Cc2c(OC)cccc2)Cc2c(OC)cccc2)[O](C)CC[O]1C |
| Title of publication | Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes. |
| Authors of publication | Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 27 |
| Pages of publication | 3338 - 3349 |
| a | 10.4333 ± 0.0002 Å |
| b | 11.0954 ± 0.0003 Å |
| c | 20.7892 ± 0.0005 Å |
| α | 89.254 ± 0.002° |
| β | 80.838 ± 0.002° |
| γ | 83.623 ± 0.001° |
| Cell volume | 2361.16 ± 0.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| 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. |
7007278.cif |
| 179776 | 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 7/00/72. |
7007278.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007278.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007278.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007278.cif |
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Users of the data should acknowledge the original authors of the
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