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Information card for entry 2021122
Preview
| Coordinates | 2021122.cif |
|---|---|
| Structure factors | 2021122.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(4-fluorobenzylidene)-1-methylpiperidin-4-one |
|---|---|
| Formula | C24 H26 F N O |
| Calculated formula | C24 H26 F N O |
| 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 | 13.4219 ± 0.0004 Å |
| b | 8.3679 ± 0.0003 Å |
| c | 18.5974 ± 0.0007 Å |
| α | 90° |
| β | 98.348 ± 0.003° |
| γ | 90° |
| Cell volume | 2066.6 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2021122.cif 2021122.hkl |
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Users of the data should acknowledge the original authors of the
structural data.