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Information card for entry 4063926
Preview
| Coordinates | 4063926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H15 F9 N4 O6 Pd S2 |
|---|---|
| Calculated formula | C20 H15 F9 N4 O6 Pd S2 |
| Title of publication | Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation |
| Authors of publication | Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1445 |
| a | 8.7061 ± 0.0009 Å |
| b | 12.799 ± 0.0012 Å |
| c | 13.5092 ± 0.0013 Å |
| α | 107.23 ± 0.002° |
| β | 100.385 ± 0.002° |
| γ | 102.965 ± 0.002° |
| Cell volume | 1351 ± 0.2 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063926.cif |
| 178534 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/39. |
4063926.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063926.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063926.cif |
| 32724 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063925, 4063926, 4063927, 4063928 via cif-deposit CGI script. |
4063926.cif |
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Users of the data should acknowledge the original authors of the
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