Information card for entry 1542708

Structure parameters

• Formula: C14 H18 F N O4 S
• Calculated formula: C14 H18 F N O4 S
• SMILES: S(=O)(=O)(N1C[C@H](F)C[C@H]2OCOC[C@H]12)c1ccc(cc1)C
• Title of publication: Pd(II)-Catalyzed Aminofluorination of Alkenes in Total Synthesis 6-(R)-Fluoroswainsonine and 5-(R)-Fluorofebrifugine.
• Authors of publication: Wu, Liang; Chen, Pinhong; Liu, Guosheng
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 960
• a: 7.0953 ± 0.0008 Å
• b: 12.6329 ± 0.0015 Å
• c: 16.757 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No