Information card for entry 1555230

Structure parameters

• Formula: C23 H25 F2 I N2 O4 S
• Calculated formula: C23 H25 F2 I N2 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: 24.1416 ± 0.0007 Å
• b: 10.1959 ± 0.0003 Å
• c: 20.5376 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5055.2 ± 0.3 ų
• Cell temperature: 293.78 ± 0.1 K
• Ambient diffraction temperature: 293.78 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No