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Information card for entry 7116783
Preview
Coordinates | 7116783.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2 |
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Formula | C26 H29 F12 N7 O2 P2 Pd |
Calculated formula | C26 H29 F12 N7 O2 P2 Pd |
SMILES | [Pd]1(=C2N(CC=C)C=CN2c2[n]1ccc(OC)c2)([N]#CC)=C1N(c2nccc(OC)c2)C=CN1CC=C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | sigma-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond |
Authors of publication | Michael R. Chapman; Christopher M. Pask; Alireza Ariafard; Charlotte E. Willans |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 5513 |
a | 17.4973 ± 0.0008 Å |
b | 9.579 ± 0.0005 Å |
c | 20.1652 ± 0.001 Å |
α | 90° |
β | 98.859 ± 0.004° |
γ | 90° |
Cell volume | 3339.5 ± 0.3 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 7 |
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 | 0.0775 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1242 |
Weighted residual factors for all reflections included in the refinement | 0.1374 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7116783.html
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