Information card for entry 4129192

Structure parameters

• Formula: C14 H10 O2 S2
• Calculated formula: C14 H10 O2 S2
• Title of publication: Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.
• Authors of publication: Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.0846 ± 0.0003 Å
• b: 8.5347 ± 0.0002 Å
• c: 10.5749 ± 0.0003 Å
• α: 80.899 ± 0.001°
• β: 69.378 ± 0.001°
• γ: 69.116 ± 0.001°
• Cell volume: 637.6 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No