Information card for entry 4515512
| Formula |
C26 H30 N2 O3 |
| Calculated formula |
C26 H30 N2 O3 |
| SMILES |
O=C(Nc1cccc2cccnc12)CCC[C@@H]1[C@H](O)CC[C@H](C1)c1ccc(OC)cc1 |
| Title of publication |
Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis |
| Authors of publication |
Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu |
| Journal of publication |
ACS Catalysis |
| Year of publication |
2018 |
| Journal volume |
9 |
| Journal issue |
2 |
| Pages of publication |
791 |
| a |
9.1036 ± 0.0002 Å |
| b |
13.3256 ± 0.0002 Å |
| c |
36.2038 ± 0.0006 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
4391.92 ± 0.14 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170.01 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 |
0.0615 |
| Residual factor for significantly intense reflections |
0.0598 |
| Weighted residual factors for significantly intense reflections |
0.1593 |
| Weighted residual factors for all reflections included in the refinement |
0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4515512.html
