Information card for entry 1555227

Structure parameters

• Formula: C24 H25 F3 I N O4 S
• Calculated formula: C24 H25 F3 I N O4 S
• Title of publication: Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.
• Authors of publication: Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4280 - 4283
• a: 13.4658 ± 0.0003 Å
• b: 20.2837 ± 0.0007 Å
• c: 19.439 ± 0.0005 Å
• α: 90°
• β: 100.921 ± 0.002°
• γ: 90°
• Cell volume: 5213.3 ± 0.3 ų
• Cell temperature: 293.18 ± 0.1 K
• Ambient diffraction temperature: 293.18 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No