Information card for entry 7217018
| Formula |
C18 H17 Cl2 N O4 |
| Calculated formula |
C18 H17 Cl2 N O4 |
| SMILES |
Clc1c(Cl)cc(C(=N\O)/C=C/c2cc(OC)c(OC)cc2OC)cc1 |
| Title of publication |
Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors |
| Authors of publication |
Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu |
| Journal of publication |
RSC Advances |
| Year of publication |
2014 |
| a |
5.7733 ± 0.0009 Å |
| b |
12.2808 ± 0.0019 Å |
| c |
12.979 ± 0.002 Å |
| α |
90.46 ± 0.004° |
| β |
94.633 ± 0.004° |
| γ |
102.396 ± 0.004° |
| Cell volume |
895.5 ± 0.2 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1765 |
| Residual factor for significantly intense reflections |
0.0707 |
| Weighted residual factors for significantly intense reflections |
0.1122 |
| Weighted residual factors for all reflections included in the refinement |
0.1409 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
| 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/7217018.html
