Information card for entry 7230797
| Formula |
C21 H20 O3 |
| Calculated formula |
C21 H20 O3 |
| Title of publication |
Design, microwave-assisted synthesis, bioactivity and SAR of novel substituted 2-phenyl-2-cyclohexanedione enol ester derivatives |
| Authors of publication |
Ye, Fei; Ma, Peng; Zhai, Yue; Yang, Fei; Gao, Shuang; Zhao, Li-Xia; Fu, Ying |
| Journal of publication |
RSC Advances |
| Year of publication |
2018 |
| Journal volume |
8 |
| Journal issue |
35 |
| Pages of publication |
19883 |
| a |
8.2375 ± 0.0016 Å |
| b |
8.9686 ± 0.0018 Å |
| c |
12.966 ± 0.003 Å |
| α |
89.29 ± 0.03° |
| β |
79.51 ± 0.03° |
| γ |
69.14 ± 0.03° |
| Cell volume |
878.7 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0577 |
| Residual factor for significantly intense reflections |
0.0403 |
| Weighted residual factors for significantly intense reflections |
0.1111 |
| Weighted residual factors for all reflections included in the refinement |
0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.051 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7230797.html
