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Information card for entry 7225911
Preview
| Coordinates | 7225911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225911.cif |
| 184439 | 2016-07-13 | cif/ Adding structures of 7225910, 7225911 via cif-deposit CGI script. |
7225911.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.