Information card for entry 1555680

Structure parameters

• Formula: C24 H20 O3 S
• Calculated formula: C24 H20 O3 S
• Title of publication: Solvent-Controlled, Tunable Hydrosulfonylation of 3-Cyclopropylideneprop-2-en-1-ones.
• Authors of publication: Miao, Maozhong; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4292 - 4295
• a: 16.1137 ± 0.0008 Å
• b: 6.3712 ± 0.0003 Å
• c: 38.874 ± 0.003 Å
• α: 90°
• β: 92.022 ± 0.006°
• γ: 90°
• Cell volume: 3988.5 ± 0.4 ų
• Cell temperature: 171.3 K
• Ambient diffraction temperature: 170 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: 0.0758
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No