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Information card for entry 7123483
Preview
| Coordinates | 7123483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Br N O2 S |
|---|---|
| Calculated formula | C19 H22 Br N O2 S |
| Title of publication | Pd-catalyzed enantioselective cyclopropanation of nitriles with mono substituted allyl carbonates enabled by the bulky N-heterocyclic carbene ligand |
| Authors of publication | Zhang, Gao-Peng; Huang, Shuai; Jiang, Yang-Jie; Liu, Xiu-Yan; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 9.475 ± 0.0009 Å |
| b | 9.6439 ± 0.0009 Å |
| c | 10.829 ± 0.001 Å |
| α | 85.185 ± 0.003° |
| β | 81.59 ± 0.003° |
| γ | 82.894 ± 0.003° |
| Cell volume | 969.16 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215286 (current) | 2019-05-18 | cif/ Adding structures of 7123483 via cif-deposit CGI script. |
7123483.cif |
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Users of the data should acknowledge the original authors of the
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