Information card for entry 1564495
| Formula |
C61 H59 Cl2 N O2 P2 Pd S |
| Calculated formula |
C61 H59 Cl2 N O2 P2 Pd S |
| Title of publication |
Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs) |
| Authors of publication |
An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
11.5489 ± 0.0003 Å |
| b |
13.5596 ± 0.0005 Å |
| c |
18.1117 ± 0.0006 Å |
| α |
70.689 ± 0.003° |
| β |
89.007 ± 0.002° |
| γ |
77.468 ± 0.002° |
| Cell volume |
2608.35 ± 0.16 Å3 |
| Cell temperature |
149.99 ± 0.1 K |
| Ambient diffraction temperature |
149.99 ± 0.1 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0523 |
| Residual factor for significantly intense reflections |
0.0415 |
| Weighted residual factors for significantly intense reflections |
0.096 |
| Weighted residual factors for all reflections included in the refinement |
0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1564495.html
