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Information card for entry 4121839
Preview
Coordinates | 4121839.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 Au Cl2 F4 I P |
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Calculated formula | C26 H21 Au Cl2 F4 I P |
SMILES | C(F)(F)(F)[Au](c1ccc(cc1)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)I.C(Cl)Cl |
Title of publication | Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination. |
Authors of publication | Winston, Matthew S.; Wolf, William J.; Toste, F. Dean |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 21 |
Pages of publication | 7777 - 7782 |
a | 10.0238 ± 0.0006 Å |
b | 11.7238 ± 0.0007 Å |
c | 12.1838 ± 0.0008 Å |
α | 90° |
β | 111.701 ± 0.002° |
γ | 90° |
Cell volume | 1330.33 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0135 |
Residual factor for significantly intense reflections | 0.0134 |
Weighted residual factors for significantly intense reflections | 0.032 |
Weighted residual factors for all reflections included in the refinement | 0.0321 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
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/4121839.html
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Users of the data should acknowledge the original authors of the
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