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Information card for entry 4123403
Preview
| Coordinates | 4123403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H37 Cl2 I O3 P2 Pd |
|---|---|
| Calculated formula | C46 H37 Cl2 I O3 P2 Pd |
| SMILES | I[Pd]12([P](c3ccccc3)(c3ccccc3)c3cccc4C(C)(C)c5c([O]2c34)c([P]1(c1ccccc1)c1ccccc1)ccc5)c1c(OC)c(Cl)cc(Cl)c1O |
| Title of publication | Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis. |
| Authors of publication | Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 4 |
| Pages of publication | 1548 - 1555 |
| a | 81.353 ± 0.008 Å |
| b | 11.6324 ± 0.001 Å |
| c | 17.8269 ± 0.0018 Å |
| α | 90° |
| β | 100.173 ± 0.008° |
| γ | 90° |
| Cell volume | 16605 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179036 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34. |
4123403.cif |
| 138210 | 2015-06-05 | cif/ Updating files of 4123400, 4123401, 4123402, 4123403 Original log message: Adding full bibliography for 4123400--4123403.cif. |
4123403.cif |
| 130630 | 2015-02-04 | cif/ Adding structures of 4123403 via cif-deposit CGI script. |
4123403.cif |
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Users of the data should acknowledge the original authors of the
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