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Information card for entry 2004747
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| Coordinates | 2004747.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H9 N O4 |
|---|---|
| Calculated formula | C9 H9 N O4 |
| SMILES | OOC(=O)c1ccc(cc1)NC(=O)C |
| Title of publication | Structures of Four <i>p</i>-Amidoperbenzoic Acids |
| Authors of publication | Feeder, N.; Jones, W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 919 - 923 |
| a | 5.054 ± 0.001 Å |
| b | 14.747 ± 0.005 Å |
| c | 12.568 ± 0.003 Å |
| α | 90° |
| β | 92.88 ± 0.02° |
| γ | 90° |
| Cell volume | 935.5 ± 0.4 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Goodness-of-fit parameter for significantly intense reflections | 1.184 |
| Diffraction radiation wavelength | 0.71069 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.