Information card for entry 2004066

Structure parameters

• Chemical name: N,N'-dicyclohexyl-dithiooxamide.
• 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 ų
• 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