Information card for entry 2238752

Structure parameters

• Chemical name: Butane-1,4-diyl bis(benzenecarbodithioate)
• Formula: C18 H18 S4
• Calculated formula: C18 H18 S4
• SMILES: S=C(c1ccccc1)SCCCCSC(=S)c1ccccc1
• Title of publication: Butane-1,4-diyl bis(benzenecarbodithioate)
• Authors of publication: Abe, Daisuke; Sasanuma, Yuji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1636
• a: 11.0205 ± 0.0006 Å
• b: 7.2535 ± 0.0005 Å
• c: 11.309 ± 0.0007 Å
• α: 90°
• β: 110.805 ± 0.002°
• γ: 90°
• Cell volume: 845.06 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No