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Information card for entry 2007241
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| Coordinates | 2007241.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Ammonium saccharin |
|---|---|
| Chemical name | Ammonium o-sulfobenzoimide |
| Formula | C7 H8 N2 O3 S |
| Calculated formula | C7 H8 N2 O3 S |
| SMILES | c12ccccc1C(=O)N=S2([O-])=O.[NH4+] |
| Title of publication | Ammonium Saccharin |
| Authors of publication | Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 649 - 651 |
| a | 7.1513 ± 0.0006 Å |
| b | 8.2054 ± 0.0006 Å |
| c | 8.3385 ± 0.0006 Å |
| α | 117.264 ± 0.006° |
| β | 96.049 ± 0.006° |
| γ | 100.497 ± 0.006° |
| Cell volume | 417.56 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections | 0.101 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Goodness-of-fit parameter for all reflections | 1.067 |
| Goodness-of-fit parameter for significantly intense reflections | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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