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Information card for entry 7121754
Preview
| Coordinates | 7121754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H20 I N2 O0.5 |
|---|---|
| Calculated formula | C17 H20 I N2 O0.5 |
| Title of publication | Ring-expanded N-heterocyclic carbenes as ligands in iron-catalysed cross-coupling reactions of arylmagnesium reagents and aryl chlorides. |
| Authors of publication | Teng, Qiaoqiao; Wu, Wenqin; Duong, Hung A.; Huynh, Han Vinh |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 47 |
| Pages of publication | 6044 - 6047 |
| a | 17.5096 ± 0.0008 Å |
| b | 10.5339 ± 0.0005 Å |
| c | 11.1338 ± 0.0006 Å |
| α | 90° |
| β | 126.315 ± 0.001° |
| γ | 90° |
| Cell volume | 1654.71 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0113 |
| Residual factor for significantly intense reflections | 0.0111 |
| Weighted residual factors for significantly intense reflections | 0.0274 |
| Weighted residual factors for all reflections included in the refinement | 0.0274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121754.cif |
| 228329 | 2019-11-17 | cif/ Updating files of 7121752, 7121753, 7121754 Original log message: Adding full bibliography for 7121752--7121754.cif. |
7121754.cif |
| 207970 | 2018-05-25 | cif/ Adding structures of 7121752, 7121753, 7121754 via cif-deposit CGI script. |
7121754.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.