Information card for entry 1556228

Structure parameters

• Formula: C24 H31 N O3 S2
• Calculated formula: C24 H31 N O3 S2
• Title of publication: Sulfoxide-directed enantioselective synthesis of functionalized tetrahydropyridines.
• Authors of publication: Fernández de la Pradilla, Roberto; Simal, Carmen; Bates, Robert H.; Viso, Alma; Infantes, Lourdes
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 4936 - 4939
• a: 8.2523 ± 0.0005 Å
• b: 9.66 ± 0.0006 Å
• c: 15.0901 ± 0.0009 Å
• α: 79.648 ± 0.004°
• β: 84.413 ± 0.004°
• γ: 82.507 ± 0.004°
• Cell volume: 1169.88 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1326
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.3148
• Weighted residual factors for all reflections included in the refinement: 0.3321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No