Information card for entry 7235274

Structure parameters

• Common name: 17b
• Chemical name: 17b
• Formula: C19 H14 O5 S4
• Calculated formula: C19 H14 O5 S4
• Title of publication: Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]
• Authors of publication: Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 26
• Pages of publication: 10193
• a: 12.696 ± 0.009 Å
• b: 17.151 ± 0.012 Å
• c: 10.238 ± 0.007 Å
• α: 90°
• β: 114.694 ± 0.005°
• γ: 90°
• Cell volume: 2025 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No