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Information card for entry 2004066
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Coordinates | 2004066.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N,N'-dicyclohexyl-dithiooxamide. |
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Formula | C14 H24 N2 S2 |
Calculated formula | C14 H24 N2 S2 |
SMILES | S=C(C(=S)NC1CCCCC1)NC1CCCCC1 |
Title of publication | <i>N</i>,<i>N</i>'-Dicyclohexyldithiooxamide |
Authors of publication | Perec, M.; Baggio, R.; Garland, M. T. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 10 |
Pages of publication | 2182 - 2184 |
a | 5.923 ± 0.001 Å |
b | 6.803 ± 0.001 Å |
c | 19.554 ± 0.005 Å |
α | 90° |
β | 90 ± 0.03° |
γ | 90° |
Cell volume | 787.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0262 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for all reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.0645 |
Goodness-of-fit parameter for all reflections | 0.267 |
Goodness-of-fit parameter for significantly intense reflections | 0.234 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2004066.html
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