Information card for entry 7160863

Structure parameters

• Formula: C16 H16 S2
• Calculated formula: C16 H16 S2
• Title of publication: Copper-catalyzed synthesis of functionalized dithioalkenes from solid calcium carbide.
• Authors of publication: Hua, Lei; Luo, Hui; Wang, Yan; He, Yu; Ge, Shanliang; Wang, Fuqiang; Wu, Jianglong; Yang, Jinhui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 5.48 ± 0.0013 Å
• b: 7.981 ± 0.002 Å
• c: 33.787 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No