Sample Originator: V. J. M. Scordia, Michael B. Hursthouse, Thomas Gelbrich, Simon J. Coles, C. S. J. Cazin and R. B. Bedford.
C33H25F3NO2PPd
InChI=1/C18H15P.C13H10N.C2HF3O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;3-2(4,5)1(6)7;/h1-15H;1-7,9-11H;(H,6,7);/q;-1;;+2/p-1
| Identification Number: | 10.5258/ecrystals/73 |
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| Date Created: | 30 March 2001 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
Triarylphosphine and arsine adducts of imine- and amine-based palladacycles have been produced and the crystal structures of three examples have been determined, as has the structure of a parent imine-based palladacycle. The complexes were tested in the Suzuki coupling of an electronically deactivated aryl bromide and the phosphine adducts were found to show much greater activity than the parent palladacycles. Triarylphosphine adducts are preferable to trialkylphosphine adducts as they not only show higher activity but they are also more easily synthesised.
DOI: 10.1039/b304053d
Data collection parameters
| Chemical formula | C33 H25 F3 N O2 P Pd |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 9.911(2) |
| Cell length b | 29.932(6) |
| Cell length c | 9.907(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.20(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0608 |
| R Factor (Obs) | 0.0429 |
| R Factor (All) | 0.0493 |
| Weighted R Factor (Obs) | 0.1154 |
| Weighted R Factor (All) | 0.1188 |
Citation: Scordia, V. J. M. and Hursthouse, Michael B. and Gelbrich, Thomas and Coles, Simon J. and Cazin, C. S. J. and Bedford, R. B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/73)
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