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Information card for entry 2004750
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| Coordinates | 2004750.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H15 N O4 |
|---|---|
| Calculated formula | C12 H15 N O4 |
| SMILES | CCCCC(=O)Nc1ccc(cc1)C(=O)OO |
| 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 | 10.729 ± 0.005 Å |
| b | 14.026 ± 0.007 Å |
| c | 8.654 ± 0.003 Å |
| α | 90° |
| β | 111.59 ± 0.03° |
| γ | 90° |
| Cell volume | 1210.9 ± 1 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Goodness-of-fit parameter for significantly intense reflections | 1.286 |
| 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.