Information card for entry 4038277

Structure parameters

• Formula: C23 H20 O S2
• Calculated formula: C23 H20 O S2
• Title of publication: Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.
• Authors of publication: Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 9
• Pages of publication: 5895 - 5906
• a: 10.8642 ± 0.0004 Å
• b: 18.7374 ± 0.0009 Å
• c: 11.2628 ± 0.0005 Å
• α: 90°
• β: 117.454 ± 0.002°
• γ: 90°
• Cell volume: 2034.53 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No