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Information card for entry 2009046
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| Coordinates | 2009046.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Sodium hydrogen trans-1-propene-1,3-dicarboxylate |
|---|---|
| Formula | C5 H5 Na O4 |
| Calculated formula | C5 H5 Na O4 |
| SMILES | C(=C\CC(=O)[O-])/C(=O)O.[Na+] |
| Title of publication | Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate |
| Authors of publication | Taka, Jun-ichiro; Kashino, Setsuo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1620 - 1623 |
| a | 5.29 ± 0.004 Å |
| b | 18.214 ± 0.006 Å |
| c | 6.781 ± 0.003 Å |
| α | 90° |
| β | 111.66 ± 0.04° |
| γ | 90° |
| Cell volume | 607.2 ± 0.6 Å3 |
| Cell temperature | 295 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 | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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