Information card for entry 7247835
| Formula |
C23 H24 N2 |
| Calculated formula |
C23 H24 N2 |
| SMILES |
N1(Cc2ccccc2)CN[C@@H](c2ccc(c3ccccc3)cc2)CC1 |
| Title of publication |
Iridium-catalyzed asymmetric, complete hydrogenation of pyrimidinium salts under batch and flow |
| Authors of publication |
Yang, Zhi; Chen, Yu; Wan, Linxi; Li, Yuxiao; Chen, Dan; Tao, Jianlin; Tang, Pei; Chen, Fen-Er |
| Journal of publication |
Green Chemistry |
| Year of publication |
2024 |
| Journal volume |
26 |
| Journal issue |
1 |
| Pages of publication |
317 - 322 |
| a |
15.156 ± 0.0003 Å |
| b |
6.0528 ± 0.0001 Å |
| c |
20.8658 ± 0.0004 Å |
| α |
90° |
| β |
104.934 ± 0.001° |
| γ |
90° |
| Cell volume |
1849.5 ± 0.06 Å3 |
| Cell temperature |
297 ± 2 K |
| Ambient diffraction temperature |
297 K |
| Number of distinct elements |
3 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0513 |
| Residual factor for significantly intense reflections |
0.0457 |
| Weighted residual factors for significantly intense reflections |
0.1214 |
| Weighted residual factors for all reflections included in the refinement |
0.1257 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7247835.html
