Information card for entry 4514805

Structure parameters

• Formula: C19 H14 S2
• Calculated formula: C19 H14 S2
• Title of publication: Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes
• Authors of publication: Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 6188
• a: 7.9503 ± 0.0008 Å
• b: 8.3038 ± 0.0008 Å
• c: 12.6012 ± 0.0011 Å
• α: 78.352 ± 0.008°
• β: 79.15 ± 0.008°
• γ: 72.944 ± 0.009°
• Cell volume: 771.51 ± 0.13 ų
• Cell temperature: 295.9 ± 0.6 K
• Ambient diffraction temperature: 295.9 ± 0.6 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: 0.0733
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No