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Information card for entry 3000279
Preview
No preview available: structure is on hold until 2021-03-16
| Coordinates | Coordinates are not available: structure is on hold until 2021-03-16 |
|---|
| Chemical name | 6,6'-bis(N,N-dimethylamino)-2,2'-bibenzothiazole |
|---|---|
| Formula | C18 H18 N4 S2 |
| Authors of publication | Erik Rakovský; Hrobárik, Peter; Osuský, Patrik; Smolíček, Maroš |
| Journal of publication | To be published |
| a | 7.6141 ± 0.0005 Å |
| b | 7.7816 ± 0.0005 Å |
| c | 8.7101 ± 0.0005 Å |
| α | 65.948 ± 0.004° |
| β | 68.659 ± 0.005° |
| γ | 62.896 ± 0.004° |
| Cell volume | 409.3 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.