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Information card for entry 1543278
Preview
| Coordinates | 1543278.cif |
|---|---|
| Structure factors | 1543278.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one |
|---|---|
| Formula | C14 H14 N2 O3 |
| Calculated formula | C14 H14 N2 O3 |
| SMILES | o1c(=O)c(c(O)cc1C)C(=N\Nc1ccccc1)\C |
| Title of publication | (<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one |
| Authors of publication | Rahmouni, Samra; Djedouani, Amel; Touzani, Rachid; Fleutot, Solenne; Bendaas, Abderrahmen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160729 |
| a | 30.1064 ± 0.0012 Å |
| b | 17.5911 ± 0.0007 Å |
| c | 13.7937 ± 0.0008 Å |
| α | 90° |
| β | 92.613 ± 0.004° |
| γ | 90° |
| Cell volume | 7297.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182863 (current) | 2016-05-11 | cif/ hkl/ Adding structures of 1543278 via cif-deposit CGI script. |
1543278.cif 1543278.hkl |
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Users of the data should acknowledge the original authors of the
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