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Information card for entry 2204427
Preview
| Coordinates | 2204427.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H18 N2 O2 |
|---|---|
| Calculated formula | C18 H18 N2 O2 |
| SMILES | c1(ccccc1)CN1C(=O)CN(Cc2ccccc2)C(=O)C1 |
| Title of publication | 1,4-Dibenzylpiperazine-2,5-dione |
| Authors of publication | Luis Nunez; Jesse D. Brown; Adam M. Donnelly; Christine R. Whitlock; Allison J. Dobson |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o2076 - o2078 |
| a | 11.829 ± 0.009 Å |
| b | 4.482 ± 0.003 Å |
| c | 27.91 ± 0.01 Å |
| α | 90° |
| β | 91.5 ± 0.05° |
| γ | 90° |
| Cell volume | 1479.2 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.