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Information card for entry 4069572
Preview
Coordinates | 4069572.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H41 I P2 Pd |
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Calculated formula | C45 H41 I P2 Pd |
SMILES | I[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C(C)C |
Title of publication | Palladium-Catalyzed Intramolecular Reactions of (E)-2,2-Disubstituted 1-Alkenyldimethylalanes with Aryl Triflates |
Authors of publication | Fillion, Eric; Trépanier, Vincent É.; Heikkinen, Jarkko J.; Remorova, Anna A.; Carson, Rebekah J.; Goll, Julie M.; Seed, Adam |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3518 |
a | 14.3854 ± 0.0009 Å |
b | 10.942 ± 0.0007 Å |
c | 24.7856 ± 0.0016 Å |
α | 90° |
β | 104.79 ± 0.003° |
γ | 90° |
Cell volume | 3772.1 ± 0.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
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 | 0.1466 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069572.html
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