Information card for entry 1502596

Structure parameters

• Formula: C16 H22 F3 N O3 S
• Calculated formula: C16 H22 F3 N O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N1[C@H](C(F)(F)F)CO[C@@H]1C(CC)CC.S(=O)(=O)(c1ccc(cc1)C)N1[C@@H](C(F)(F)F)CO[C@H]1C(CC)CC
• Title of publication: AgSbF6-promoted cycloaddition reaction of 2-trifluoromethyl-N-tosylaziridine with aldehydes.
• Authors of publication: Maeda, Ryoko; Ishibashi, Rie; Kamaishi, Ryo; Hirotaki, Kensuke; Furuno, Hiroshi; Hanamoto, Takeshi
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6240 - 6243
• a: 11.166 ± 0.004 Å
• b: 12.401 ± 0.002 Å
• c: 12.834 ± 0.003 Å
• α: 90°
• β: 92.813 ± 0.014°
• γ: 90°
• Cell volume: 1775 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No