Information card for entry 4518547
| Formula |
C20 H27 N O2 |
| Calculated formula |
C20 H27 N O2 |
| SMILES |
O(c1c(C(=N\OC)\C)cccc1)CC12CC3CC(C1)CC(C2)C3 |
| Title of publication |
Solvent-less Dehydrogenative C–H Etherification with Alcohols Using Mechanochemistry |
| Authors of publication |
Zhou, Kun; Hao, Hong-Yan; Mao, Yang-Jie; Wu, Qiu-Zi; Chen, Lei; Wang, Shuang; Jin, Wu; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian |
| Journal of publication |
ACS Sustainable Chemistry & Engineering |
| Year of publication |
2021 |
| Journal volume |
9 |
| Journal issue |
12 |
| Pages of publication |
4433 - 4439 |
| a |
7.9105 ± 0.0008 Å |
| b |
10.1433 ± 0.0014 Å |
| c |
12.1778 ± 0.0013 Å |
| α |
68.787 ± 0.005° |
| β |
73.015 ± 0.004° |
| γ |
71.871 ± 0.005° |
| Cell volume |
847.74 ± 0.17 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
169.96 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0509 |
| Residual factor for significantly intense reflections |
0.0452 |
| Weighted residual factors for significantly intense reflections |
0.1212 |
| Weighted residual factors for all reflections included in the refinement |
0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.051 |
| 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/4518547.html
