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Information card for entry 4513816
Preview
| Coordinates | 4513816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H27 F2 N O4 |
|---|---|
| Calculated formula | C33 H27 F2 N O4 |
| Title of publication | Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond |
| Authors of publication | Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1971 |
| a | 7.9794 ± 0.0013 Å |
| b | 12.355 ± 0.002 Å |
| c | 27.87 ± 0.004 Å |
| α | 83.268 ± 0.003° |
| β | 84.119 ± 0.003° |
| γ | 89.549 ± 0.003° |
| Cell volume | 2714.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1885 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.2214 |
| Weighted residual factors for all reflections included in the refinement | 0.2889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181424 (current) | 2016-04-04 | cif/ Updating files of 4513816 Original log message: Adding full bibliography for 4513816.cif. |
4513816.cif |
| 176762 | 2016-02-20 | cif/ Adding structures of 4513816 via cif-deposit CGI script. |
4513816.cif |
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Users of the data should acknowledge the original authors of the
structural data.