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Information card for entry 2021124
Preview
| Coordinates | 2021124.cif |
|---|---|
| Structure factors | 2021124.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5<i>E</i>)-3-{3-[(<i>E</i>)-(2,3-Dihydroxybenzylidene)amino]benzylidene}-5-(2-fluorobenzylidene)-1-methylpiperidin-4-one |
|---|---|
| Formula | C27 H23 F N2 O3 |
| Calculated formula | C27 H23 F N2 O3 |
| SMILES | C1(=O)C(=C\c2c(cccc2)F)\CN(C/C1=C\c1cc(ccc1)/N=C/c1c(c(ccc1)O)O)C |
| Title of publication | Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity |
| Authors of publication | Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| a | 7.0689 ± 0.0005 Å |
| b | 8.2072 ± 0.0005 Å |
| c | 20.1397 ± 0.0016 Å |
| α | 94.401 ± 0.006° |
| β | 97.829 ± 0.006° |
| γ | 106.575 ± 0.006° |
| Cell volume | 1101.18 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207689 (current) | 2018-05-08 | cif/ hkl/ Adding structures of 2021122, 2021123, 2021124 via cif-deposit CGI script. |
2021124.cif 2021124.hkl |
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.