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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 |
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Chemical name | 6,6'-bis(N,N-dimethylamino)-2,2'-bibenzothiazole |
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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.