Information card for entry 7161152
| Formula |
C16 H19 Br N4 O5 |
| Calculated formula |
C16 H19 Br N4 O5 |
| Title of publication |
An organocatalytic enantioselective aza-Henry reaction of pyrazolone ketimines. |
| Authors of publication |
Wang, Yakun; Du, Xiaoyu; Wang, Han; Kong, Xu; Tian, Jinghao; Zhang, Yuli; Liang, Jinying; Yang, Pengfei; Zhang, Tao |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2026 |
| Journal volume |
24 |
| Journal issue |
14 |
| Pages of publication |
3002 - 3008 |
| a |
6.11553 ± 0.00009 Å |
| b |
12.3395 ± 0.0002 Å |
| c |
25.2572 ± 0.0004 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1905.97 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| 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 |
0.0581 |
| Residual factor for significantly intense reflections |
0.051 |
| Weighted residual factors for significantly intense reflections |
0.1317 |
| Weighted residual factors for all reflections included in the refinement |
0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.053 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7161152.html
