Information card for entry 8104574

Structure parameters

• Chemical name: 3-iodo-N-(2-methanesulfonyl- 1,1-dmethylethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1- trifluoromethylethyl)phenyl)phthalamide
• Formula: C184 H176 F56 I8 N16 O32 S8
• Calculated formula: C184 H176 F56 I8 N16 O32 S8
• Title of publication: Crystal structure of 3-iodo-N 2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N 1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, C23H22F7I1N2O4S1
• Authors of publication: Luo, Juan; Wang, Jie; Qiu, Gao-Yan; Xiong, Wan-Ming; Peng, Da-Yong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1235 - 1238
• a: 19.762 ± 0.003 Å
• b: 24.69 ± 0.004 Å
• c: 12.106 ± 0.002 Å
• α: 90°
• β: 113.696 ± 0.002°
• γ: 90°
• Cell volume: 5408.8 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No