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Information card for entry 1554449
Preview
| Coordinates | 1554449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H37 I N2 Ru |
|---|---|
| Calculated formula | C30 H37 I N2 Ru |
| Title of publication | Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines |
| Authors of publication | Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 563 |
| a | 12.2395 ± 0.0019 Å |
| b | 14.363 ± 0.002 Å |
| c | 18.399 ± 0.003 Å |
| α | 89.442 ± 0.003° |
| β | 89.312 ± 0.002° |
| γ | 88.419 ± 0.003° |
| Cell volume | 3232.9 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0941 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1851 |
| Weighted residual factors for all reflections included in the refinement | 0.2175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237246 (current) | 2019-11-24 | cif/ Adding structures of 1554449, 1554450 via cif-deposit CGI script. |
1554449.cif |
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Users of the data should acknowledge the original authors of the
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