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Information card for entry 4000421
Preview
| Coordinates | 4000421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | guanidinium tetradecylbenzenesulfonate |
|---|---|
| Formula | C21 H39 N3 O3 S |
| Calculated formula | C21 H39 N3 O3 S |
| SMILES | NC(=[NH2+])N.CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-] |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 7.8868 ± 0.0008 Å |
| b | 10.1325 ± 0.001 Å |
| c | 59.017 ± 0.006 Å |
| α | 90° |
| β | 92.131 ± 0.002° |
| γ | 90° |
| Cell volume | 4713 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1553 |
| Residual factor for significantly intense reflections | 0.0973 |
| Weighted residual factors for significantly intense reflections | 0.2173 |
| Weighted residual factors for all reflections included in the refinement | 0.2372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.