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Information card for entry 4033424
Preview
Coordinates | 4033424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 N4 |
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Calculated formula | C22 H24 N4 |
SMILES | N(C)(C)c1ccc(cc1)C(=Cc1nnccc1)c1ccc(cc1)N(C)C |
Title of publication | Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations. |
Authors of publication | Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 3 |
Pages of publication | 1462 - 1477 |
a | 6.2768 ± 0.0012 Å |
b | 11.5391 ± 0.0017 Å |
c | 25.917 ± 0.004 Å |
α | 90° |
β | 91.65 ± 0.009° |
γ | 90° |
Cell volume | 1876.4 ± 0.5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.1247 |
Residual factor for significantly intense reflections | 0.0987 |
Weighted residual factors for significantly intense reflections | 0.2511 |
Weighted residual factors for all reflections included in the refinement | 0.2714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation probe | x-ray |
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/4033424.html
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Users of the data should acknowledge the original authors of the
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