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Information card for entry 1517163
Preview
| Coordinates | 1517163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | saccharin |
|---|---|
| Chemical name | o-sulphobenzoic imide |
| Formula | C7 H5 N O3 S |
| Calculated formula | C7 H5 N O3 S |
| Title of publication | The crystal and molecular structure of saccharin (o-sulphobenzoic imide) |
| Authors of publication | Bart, J. C. J. |
| Journal of publication | J. Chem. Soc. B, The Royal Society of Chemistry |
| Year of publication | 1968 |
| Pages of publication | 376 - 382 |
| a | 9.563 ± 0.004 Å |
| b | 6.913 ± 0.003 Å |
| c | 11.822 ± 0.004 Å |
| α | 90° |
| β | 103.85 ± 0.17° |
| γ | 90° |
| Cell volume | 758.8 ± 0.8 Å3 |
| 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 | 0.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7106 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517163.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517163.cif |
| 120437 | 2014-07-15 | cif/ Adding structures of 1517163 via cif-deposit CGI script. |
1517163.cif |
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Users of the data should acknowledge the original authors of the
structural data.