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Information card for entry 7121752
Preview
| Coordinates | 7121752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H37 I N2 |
|---|---|
| Calculated formula | C26 H37 I N2 |
| 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 | 9.4821 ± 0.0007 Å |
| b | 14.8496 ± 0.0008 Å |
| c | 17.729 ± 0.0012 Å |
| α | 90° |
| β | 100.901 ± 0.002° |
| γ | 90° |
| Cell volume | 2451.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0239 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
7121752.cif |
| 228329 | 2019-11-17 | cif/ Updating files of 7121752, 7121753, 7121754 Original log message: Adding full bibliography for 7121752--7121754.cif. |
7121752.cif |
| 207970 | 2018-05-25 | cif/ Adding structures of 7121752, 7121753, 7121754 via cif-deposit CGI script. |
7121752.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.