Information card for entry 2008561

Structure parameters

• Chemical name: Butylene bis(dimethyldithiocarbamate)
• Formula: C10 H20 N2 S4
• Calculated formula: C10 H20 N2 S4
• SMILES: CN(C(=S)SCCCCSC(=S)N(C)C)C
• Title of publication: Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)
• Authors of publication: Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 940 - 942
• a: 7.4875 ± 0.0001 Å
• b: 7.4424 ± 0.0002 Å
• c: 13.7568 ± 0.0003 Å
• α: 90°
• β: 97.536 ± 0.001°
• γ: 90°
• Cell volume: 759.98 ± 0.03 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No