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Information card for entry 4033425
Preview
Coordinates | 4033425.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H18 N2 S2 |
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Calculated formula | C20 H18 N2 S2 |
SMILES | S(C)c1ccc(cc1)C(=Cc1ncncc1)c1ccc(SC)cc1 |
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 | 42.452 ± 0.003 Å |
b | 8.5066 ± 0.0005 Å |
c | 9.6005 ± 0.0007 Å |
α | 90° |
β | 98.667 ± 0.002° |
γ | 90° |
Cell volume | 3427.4 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0562 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/4033425.html
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