Information card for entry 7238984

Structure parameters

• Formula: C14 H24 F3 N O6 S
• Calculated formula: C14 H24 F3 N O6 S
• Title of publication: New asymmetric approach to β-trifluoromethyl isoserines
• Authors of publication: Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 18
• Pages of publication: 6479
• a: 25.049 ± 0.002 Å
• b: 8.4762 ± 0.0007 Å
• c: 8.8991 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1889.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No