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Information card for entry 7234396
Preview
| Coordinates | 7234396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 Br3 N O |
|---|---|
| Calculated formula | C19 H12 Br3 N O |
| Title of publication | Enantioselective bromination of axially chiral cyanoarenes in the presence of bifunctional organocatalysts |
| Authors of publication | Wada, Yuuki; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 54 |
| Pages of publication | 31654 |
| a | 12.3302 ± 0.0014 Å |
| b | 7.9001 ± 0.0009 Å |
| c | 18.63 ± 0.002 Å |
| α | 90° |
| β | 96.052 ± 0.007° |
| γ | 90° |
| Cell volume | 1804.6 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219106 (current) | 2019-10-05 | cif/ Adding structures of 7234396 via cif-deposit CGI script. |
7234396.cif |
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