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Information card for entry 4000424
Preview
| Coordinates | 4000424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | guanidinium decylbiphenylsulfonate |
|---|---|
| Formula | C23 H35 N3 O3 S |
| Calculated formula | C23 H35 N3 O3 S |
| SMILES | NC(=[NH2+])N.CCCCCCCCCCc1ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-] |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 7.6689 ± 0.0016 Å |
| b | 7.9238 ± 0.0016 Å |
| c | 38.321 ± 0.008 Å |
| α | 90° |
| β | 92.893 ± 0.003° |
| γ | 90° |
| Cell volume | 2325.7 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1541 |
| Residual factor for significantly intense reflections | 0.1114 |
| Weighted residual factors for significantly intense reflections | 0.2236 |
| Weighted residual factors for all reflections included in the refinement | 0.2405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| 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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