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Information card for entry 4081287
Preview
Coordinates | 4081287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H17 F13 N2 O2 Pd |
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Calculated formula | C29 H17 F13 N2 O2 Pd |
SMILES | [Pd]1(c2c(c3[n]1cccc3)cccc2)(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[n]1ccccc1c1ccccc1 |
Title of publication | Electrochemical Ortho Functionalization of 2-Phenylpyridine with Perfluorocarboxylic Acids Catalyzed by Palladium in Higher Oxidation States |
Authors of publication | Dudkina, Yulia B.; Mikhaylov, Dmitry Y.; Gryaznova, Tatyana V.; Tufatullin, Artem I.; Kataeva, Olga N.; Vicic, David A.; Budnikova, Yulia H. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 17 |
Pages of publication | 4785 |
a | 18.167 ± 0.003 Å |
b | 11.479 ± 0.002 Å |
c | 14.622 ± 0.003 Å |
α | 90° |
β | 101.087 ± 0.002° |
γ | 90° |
Cell volume | 2992.3 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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