Information card for entry 7133357

Structure parameters

• Formula: C20 H16 O S2
• Calculated formula: C20 H16 O S2
• Title of publication: Tunable electrochemical diverse sulfurization of sulfoxonium ylides with disulfides.
• Authors of publication: Hu, Xinwei; Zhong, Kaihui; Ruan, Zhixiong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8573 - 8576
• a: 10.0077 ± 0.0005 Å
• b: 11.6105 ± 0.0005 Å
• c: 14.5031 ± 0.0007 Å
• α: 90°
• β: 99.121 ± 0.004°
• γ: 90°
• Cell volume: 1663.87 ± 0.14 ų
• Cell temperature: 169.98 ± 0.1 K
• Ambient diffraction temperature: 169.98 ± 0.1 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: 0.0361
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No