Information card for entry 4517456
| Formula |
C61 H86 Cl2 N8 O8 |
| Calculated formula |
C61 H86 Cl2 N8 O8 |
| Title of publication |
Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols |
| Authors of publication |
Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng |
| Journal of publication |
ACS Catalysis |
| Year of publication |
2020 |
| Pages of publication |
3556 |
| a |
12.5285 ± 0.0004 Å |
| b |
16.597 ± 0.0006 Å |
| c |
14.9439 ± 0.0005 Å |
| α |
90° |
| β |
93.876 ± 0.001° |
| γ |
90° |
| Cell volume |
3100.26 ± 0.18 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120.01 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 all reflections |
0.077 |
| Residual factor for significantly intense reflections |
0.0517 |
| Weighted residual factors for significantly intense reflections |
0.1089 |
| Weighted residual factors for all reflections included in the refinement |
0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4517456.html
