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Information card for entry 1574770
Preview
| Coordinates | 1574770.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate |
|---|---|
| Formula | C14 H11 N3 O8 S2 |
| Calculated formula | C14 H11 N3 O8 S2 |
| Title of publication | 2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate |
| Authors of publication | Tsemeugne, Joseph; Djossu, Didier Forest Kouganou; Schollmeyer, Dieter; Mkounga, Pierre |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 5 |
| a | 7.8421 ± 0.0003 Å |
| b | 12.3037 ± 0.0005 Å |
| c | 16.0821 ± 0.0006 Å |
| α | 90° |
| β | 96.081 ± 0.003° |
| γ | 90° |
| Cell volume | 1542.98 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299894 (current) | 2025-05-31 | cif/ Adding structures of 1574770 via cif-deposit CGI script. |
1574770.cif |
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