Information card for entry 2228247

Structure parameters

• Chemical name: [(Pyrrolidin-1-yl)carbothioylsulfanyl]methyl pyrrolidine-1-carbodithioate
• Formula: C11 H18 N2 S4
• Calculated formula: C11 H18 N2 S4
• SMILES: S=C(N1CCCC1)SCSC(=S)N1CCCC1
• Title of publication: [(Pyrrolidin-1-yl)carbothioylsulfanyl]methyl pyrrolidine-1-carbodithioate
• Authors of publication: Chou, Wei-Lung; Yih, Kuang-Hway; Lee, Gene-Hsiang; Huang, Yen-Hsiang; Wang, Hsiao-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3193
• a: 21.9118 ± 0.0018 Å
• b: 4.5705 ± 0.0004 Å
• c: 14.3452 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes