Information card for entry 7235725

Structure parameters

• Formula: C19 H21 F5 N2 O S
• Calculated formula: C19 H21 F5 N2 O S
• Title of publication: First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides
• Authors of publication: Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 6864
• a: 9.2994 ± 0.0009 Å
• b: 12.5496 ± 0.0012 Å
• c: 17.0351 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1988.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No