Information card for entry 7117628

Structure parameters

• Formula: C17 H13 F3 N2 O2 S
• Calculated formula: C17 H13 F3 N2 O2 S
• Title of publication: Diastereoselective Johnson-Corey-Chaykovsky trifluoroethylidenation.
• Authors of publication: Duan, Yaya; Zhou, Bin; Lin, Jin-Hong; Xiao, Ji-Chang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 66
• Pages of publication: 13127 - 13130
• a: 17.549 ± 0.004 Å
• b: 11.355 ± 0.002 Å
• c: 18.82 ± 0.004 Å
• α: 90°
• β: 111.289 ± 0.004°
• γ: 90°
• Cell volume: 3494.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No