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Information card for entry 2021123
Preview
| Coordinates | 2021123.cif |
|---|---|
| Structure factors | 2021123.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(3,5-dimethoxybenzylidene)-1-methylpiperidin-4-one |
|---|---|
| Formula | C26 H31 N O3 |
| Calculated formula | C26 H31 N O3 |
| 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 | 19.1378 ± 0.0009 Å |
| b | 16.2788 ± 0.0008 Å |
| c | 7.5525 ± 0.0004 Å |
| α | 90° |
| β | 98.386 ± 0.005° |
| γ | 90° |
| Cell volume | 2327.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
2021123.cif 2021123.hkl |
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Users of the data should acknowledge the original authors of the
structural data.