Information card for entry 2208760

Structure parameters

• Chemical name: Bis(N,N-dicyclohexylthiocarbamoyl) disulfide
• Formula: C26 H44 N2 O2 S2
• Calculated formula: C26 H44 N2 O2 S2
• SMILES: O=C(N(C1CCCCC1)C1CCCCC1)SSC(=O)N(C1CCCCC1)C1CCCCC1
• Title of publication: Bis(<i>N</i>,<i>N</i>-dicyclohexylthiocarbamoyl) disulfide
• Authors of publication: Li, Feng; Yin, Han-Dong; Hong, Min; Zhai, Jun; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m1417 - m1418
• a: 12.868 ± 0.003 Å
• b: 25.435 ± 0.006 Å
• c: 9.08 ± 0.002 Å
• α: 90°
• β: 116.579 ± 0.003°
• γ: 90°
• Cell volume: 2657.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes