Information card for entry 7244329

Structure parameters

• Formula: C15 H17 N O3 S
• Calculated formula: C15 H17 N O3 S
• Title of publication: Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives
• Authors of publication: Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 4187 - 4190
• a: 6.0976 ± 0.0004 Å
• b: 9.5728 ± 0.0008 Å
• c: 12.3463 ± 0.001 Å
• α: 99.389 ± 0.007°
• β: 90.433 ± 0.006°
• γ: 89.796 ± 0.007°
• Cell volume: 710.99 ± 0.1 ų
• Cell temperature: 243 ± 1 K
• Ambient diffraction temperature: 243 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No