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Information card for entry 2005145
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| Coordinates | 2005145.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 H9 N O4 |
|---|---|
| Calculated formula | C10 H9 N O4 |
| Title of publication | Kynurenic Acid Monohydrate |
| Authors of publication | Okabe, N.; Miura, J.; Shimosaki, A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1827 - 1829 |
| a | 6.713 ± 0.003 Å |
| b | 12.602 ± 0.004 Å |
| c | 10.869 ± 0.006 Å |
| α | 90° |
| β | 94.1 ± 0.05° |
| γ | 90° |
| Cell volume | 917.1 ± 0.7 Å3 |
| Cell temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Goodness-of-fit parameter for significantly intense reflections | 1.62 |
| 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
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