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Information card for entry 4119029
Preview
Coordinates | 4119029.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H29 B F24 N5 O3 Re |
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Calculated formula | C49 H29 B F24 N5 O3 Re |
SMILES | [Re]1([n]2c(n(cc2)C)c2[n]1ccc(c2)C)([n]1cn(cc1)C)(C#[O])(C#[O])C#[O].[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Re-Mediated C-C Coupling of Pyridines and Imidazoles |
Authors of publication | Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 20326 - 20329 |
a | 13.3687 ± 0.001 Å |
b | 9.4769 ± 0.0007 Å |
c | 39.453 ± 0.0019 Å |
α | 90° |
β | 93.559 ± 0.001° |
γ | 90° |
Cell volume | 4988.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1286 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.0876 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.808 |
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/4119029.html
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Users of the data should acknowledge the original authors of the
structural data.