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Information card for entry 2010639
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| Coordinates | 2010639.cif |
|---|---|
| Structure factors | 2010639.hkl |
| Original IUCr paper | HTML |
| Chemical name | Sodium diphenylacetate |
|---|---|
| Formula | C14 H11 Na O2 |
| Calculated formula | C14 H11 Na O2 |
| SMILES | [Na+].O=C([O-])C(c1ccccc1)c1ccccc1 |
| Title of publication | Sodium diphenylacetate, an infinite columnar structure |
| Authors of publication | Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 168 - 170 |
| a | 18.944 ± 0.003 Å |
| b | 18.944 ± 0.003 Å |
| c | 6.3326 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2272.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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