Information card for entry 2201146

Structure parameters

• Chemical name: trans-3,6-Bis(chlorophenylmethylene)-1,2,4,5-tetrathiane
• Formula: C16 H10 Cl2 S4
• Calculated formula: C16 H10 Cl2 S4
• SMILES: s1s\c(=C(/Cl)c2ccccc2)ss/c1=C(Cl)/c1ccccc1
• Title of publication: <i>trans</i>-3,6-Bis(chlorophenylmethylene)-1,2,4,5-tetrathiane
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Sander, Wolfram; Wierlacher, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o555 - o556
• a: 7.611 ± 0.004 Å
• b: 17.137 ± 0.005 Å
• c: 26.161 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3412 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes