Information card for entry 7160323

Structure parameters

• Formula: C26 H27 N O5 S
• Calculated formula: C26 H27 N O5 S
• Title of publication: Synthesis of 4-hydroxypiperidines containing a quaternary stereocenter by aza-Prins cyclization.
• Authors of publication: Le Roch, Myriam; Gouault, Nicolas; Renault, Jacques; Argouarch, Gilles; Roisnel, Thierry; Banik, Swarnayu; Subba Reddy, B. V.; Lalli, Claudia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1644 - 1652
• a: 11.7842 ± 0.0013 Å
• b: 10.2201 ± 0.0011 Å
• c: 19.2 ± 0.002 Å
• α: 90°
• β: 93.221 ± 0.004°
• γ: 90°
• Cell volume: 2308.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No