Information card for entry 4038714

Structure parameters

• Formula: C18 H15 Cl F3 N O5 S
• Calculated formula: C18 H15 Cl F3 N O5 S
• Title of publication: C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines.
• Authors of publication: Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.8858 ± 0.0004 Å
• b: 9.5706 ± 0.0006 Å
• c: 23.3142 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1982.7 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No