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Information card for entry 2008834
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| Coordinates | 2008834.cif |
|---|---|
| Structure factors | 2008834.hkl |
| Original IUCr paper | HTML |
| Formula | C9 H9 N O3 |
|---|---|
| Calculated formula | C9 H9 N O3 |
| SMILES | O=C(O)c1c(NC(=O)C)cccc1 |
| Title of publication | Redetermination of <i>N</i>-acetylanthranilic acid at 158K |
| Authors of publication | Kovalevsky, A. Yu. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 8 |
| Pages of publication | IUC9900093 |
| a | 10.619 ± 0.005 Å |
| b | 30.105 ± 0.014 Å |
| c | 10.582 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3383 ± 2 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections | 0.198 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections | 1.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.