Information card for entry 4029711

Structure parameters

• Chemical name: (3SR,4RS)-3-(benzyloxy)-4-((1SR)-pentafluorosulfanyl-propyl)- -1-(4-methoxyphenyl)azetidin-2-one
• Formula: C20 H22 F5 N O3 S
• Calculated formula: C20 H22 F5 N O3 S
• SMILES: S(F)(F)(F)(F)(F)[C@H]([C@H]1N(c2ccc(OC)cc2)C(=O)[C@H]1OCc1ccccc1)CC.S(F)(F)(F)(F)(F)[C@@H]([C@@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]1OCc1ccccc1)CC
• Title of publication: Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines.
• Authors of publication: Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2013
• Journal volume: 9
• Pages of publication: 2675 - 2680
• a: 6.809 ± 0.007 Å
• b: 10.145 ± 0.01 Å
• c: 14.616 ± 0.015 Å
• α: 93.168 ± 0.013°
• β: 95.116 ± 0.014°
• γ: 97.126 ± 0.013°
• Cell volume: 995.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2002
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.2922
• Weighted residual factors for all reflections included in the refinement: 0.3241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No