Information card for entry 1553527

Structure parameters

• Common name: (Ph-CN)-S-S-(Ph-CN)
• Formula: C14 H8 N2 S2
• Calculated formula: C14 H8 N2 S2
• Title of publication: Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent
• Authors of publication: Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 31
• a: 7.8232 ± 0.0004 Å
• b: 11.6428 ± 0.0005 Å
• c: 14.5818 ± 0.0007 Å
• α: 84.863 ± 0.004°
• β: 83.654 ± 0.004°
• γ: 73.557 ± 0.004°
• Cell volume: 1263.68 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No