Information card for entry 7225911
| Formula |
C20 H21 N O5 |
| Calculated formula |
C20 H21 N O5 |
| SMILES |
c1(ccccc1)CNC(=O)COc1c(cc(cc1)/C=C/C(=O)OC)OC |
| Title of publication |
Design, synthesis and in-vitro anti-leukemic evaluation of ferulic acid analogues as BCR-Abl inhibitors |
| Authors of publication |
R, Narendran; Subramaniam, Shankar; Raja, MR Charan; Venkatasubba Rao, Himesh Makala; R, Subhashree; Ulaganathan, Venkatasubramanian; Pemiah, Brindha; Kar Mahapatra, Santanu; Sivasubramanian, Aravind |
| Journal of publication |
RSC Adv. |
| Year of publication |
2016 |
| a |
8.4538 ± 0.0006 Å |
| b |
10.1122 ± 0.0006 Å |
| c |
11.6442 ± 0.0007 Å |
| α |
66.97 ± 0.003° |
| β |
85.59 ± 0.003° |
| γ |
84.25 ± 0.003° |
| Cell volume |
910.71 ± 0.1 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 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 |
0.0995 |
| Residual factor for significantly intense reflections |
0.0485 |
| Weighted residual factors for significantly intense reflections |
0.1149 |
| Weighted residual factors for all reflections included in the refinement |
0.144 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7225911.html
