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Information card for entry 2200119
Preview
| Coordinates | 2200119.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H14 N2 O2 |
|---|---|
| Calculated formula | C14 H14 N2 O2 |
| SMILES | O=C1N(c2c(N(C1=O)CC=C)cccc2)CC=C |
| Title of publication | 1,4-Diallylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione |
| Authors of publication | Mustaphi, N. E.; Ferfra, S.; Essassi, E. M.; Pierrot, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 2 |
| Pages of publication | o176 - o177 |
| a | 9.3 ± 0.0005 Å |
| b | 15.2215 ± 0.0005 Å |
| c | 9.7195 ± 0.0005 Å |
| α | 90° |
| β | 117.883 ± 0.002° |
| γ | 90° |
| Cell volume | 1216.16 ± 0.1 Å3 |
| Cell temperature | 298 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections | 1.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 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
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