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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2007241.html
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