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Information card for entry 4000415
Preview
| Coordinates | 4000415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | guandinium ethylbenzenesulfonate |
|---|---|
| Formula | C9 H15 N3 O3 S |
| Calculated formula | C9 H15 N3 O3 S |
| SMILES | [O-]S(c1ccc(cc1)CC)(=O)=O.NC(=[NH2+])N |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 7.4368 ± 0.0013 Å |
| b | 21.845 ± 0.004 Å |
| c | 7.2227 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1173.4 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | A m a 2 |
| Hall space group symbol | A 2 -2a |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 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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