Information card for entry 1571488

Structure parameters

• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• Title of publication: Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.
• Authors of publication: Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 8156 - 8162
• a: 8.297 ± 0.0003 Å
• b: 11.4089 ± 0.0005 Å
• c: 29.4395 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2786.73 ± 0.19 ų
• Cell temperature: 170.01 ± 0.1 K
• Ambient diffraction temperature: 170.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No