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Information card for entry 4119159
Preview
| Coordinates | 4119159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H42 Cl2 F2 N4 O2 Rh2 |
|---|---|
| Calculated formula | C34 H42 Cl2 F2 N4 O2 Rh2 |
| Title of publication | Rhodium(III)-Catalyzed N-Nitroso-Directed C-H Olefination of Arenes. High-Yield, Versatile Coupling under Mild Conditions |
| Authors of publication | Baoqing Liu; Yang Fan; Yang Gao; Chao Sun; Cheng Xu; Jin Zhu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 468 - 473 |
| a | 7.889 ± 0.005 Å |
| b | 8.303 ± 0.005 Å |
| c | 14.135 ± 0.008 Å |
| α | 77.9 ± 0.007° |
| β | 78.893 ± 0.007° |
| γ | 68.444 ± 0.008° |
| Cell volume | 835.2 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4119159.cif |
| 178962 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91. |
4119159.cif |
| 103229 | 2014-02-27 | cif/ Adding structures of 4119159 via cif-deposit CGI script. |
4119159.cif |
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Users of the data should acknowledge the original authors of the
structural data.