Information card for entry 2212845

Structure parameters

• Chemical name: Bis(N,N-dibenzylthiocarbamoyl) disulfide
• Formula: C30 H28 N2 S4
• Calculated formula: C30 H28 N2 S4
• SMILES: N(C(=S)SSC(=S)N(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Bis(<i>N</i>,<i>N</i>-dibenzylthiocarbamoyl) disulfide
• Authors of publication: Jun Zhai; Han-Dong Yin; Feng Li; Shao-Wen chen; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1969 - o1970
• a: 19.546 ± 0.003 Å
• b: 14.325 ± 0.002 Å
• c: 21.958 ± 0.003 Å
• α: 90°
• β: 115.86 ± 0.002°
• γ: 90°
• Cell volume: 5532.5 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes