Information card for entry 2225291

Structure parameters

• Common name: 1,2-bis(4-ethynylphenyl)disulfane
• Chemical name: 1,2-bis(4-ethynylphenyl)disulfane
• Formula: C16 H10 S2
• Calculated formula: C16 H10 S2
• SMILES: S(Sc1ccc(C#C)cc1)c1ccc(C#C)cc1
• Title of publication: 1,2-Bis(4-ethynylphenyl)disulfane
• Authors of publication: Xiao, Qi; Liu, Rui; Li, Yu-Hao; Chen, Hong-Bin; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o606
• a: 5.981 ± 0.001 Å
• b: 8.881 ± 0.002 Å
• c: 13.269 ± 0.003 Å
• α: 94.92 ± 0.03°
• β: 99.29 ± 0.03°
• γ: 104.45 ± 0.03°
• Cell volume: 667.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes