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Information card for entry 2239771
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| Coordinates | 2239771.cif |
|---|---|
| Structure factors | 2239771.hkl |
| Original IUCr paper | HTML |
| Common name | Kalium-4-azido-bezolsulfonat |
|---|---|
| Chemical name | Potassium 4-azidobenzenesulfonate |
| Formula | C6 H4 K N3 O3 S |
| Calculated formula | C6 H4 K N3 O3 S |
| SMILES | [K+].S(=O)(=O)([O-])c1ccc(N=N#N)cc1 |
| Title of publication | Potassium 4-azidobenzenesulfonate |
| Authors of publication | Biesemeier, Frank; Geiseler, Gertraud; Harms, Klaus; Müller, Ulrich |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | m300 |
| a | 5.422 ± 0.0005 Å |
| b | 7.9937 ± 0.0007 Å |
| c | 19.267 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 835.07 ± 0.14 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0187 |
| Residual factor for significantly intense reflections | 0.0179 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239771.cif 2239771.hkl |
| 181316 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/97. |
2239771.cif 2239771.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239771.cif 2239771.hkl |
| 120022 | 2014-07-11 | cif/ hkl/ Adding structures of 2239771 via cif-deposit CGI script. |
2239771.cif 2239771.hkl |
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Users of the data should acknowledge the original authors of the
structural data.