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Information card for entry 4129862
Preview
| Coordinates | 4129862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N O2.2 |
|---|---|
| Calculated formula | C19 H18.83 N O2.17 |
| Title of publication | Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones. |
| Authors of publication | Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 1 |
| Pages of publication | 369 - 374 |
| a | 8.2495 ± 0.0003 Å |
| b | 12.0484 ± 0.0003 Å |
| c | 14.9606 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1486.98 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240514 (current) | 2019-11-25 | cif/ Adding structures of 4129862 via cif-deposit CGI script. |
4129862.cif |
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Users of the data should acknowledge the original authors of the
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