Information card for entry 7125692

Structure parameters

• Formula: C14 H24 N2 O5 S2
• Calculated formula: C14 H24 N2 O5 S2
• Title of publication: Organocatalytic enantioselective synthesis of 2,5,5-trisubstituted piperidines bearing a quaternary stereocenter. Vinyl sulfonamide as a new amine protecting group.
• Authors of publication: Escolano, Marcos; Guerola, Marta; Torres, Javier; Gaviña, Daniel; Alzuet-Piña, Gloria; Sánchez-Rosello, María; Del Pozo, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1425 - 1428
• a: 7.25874 ± 0.00008 Å
• b: 6.61591 ± 0.00006 Å
• c: 18.72215 ± 0.00018 Å
• α: 90°
• β: 91.4852 ± 0.0009°
• γ: 90°
• Cell volume: 898.795 ± 0.015 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No