Information card for entry 7150407

Structure parameters

• Formula: C16 H23 N O3 S
• Calculated formula: C16 H23 N O3 S
• SMILES: [C@H]1(C[C@@H](C)N(C[C@H]1C(=C)C)S(=O)(=O)c1ccc(cc1)C)O.[C@@H]1(C[C@H](C)N(C[C@@H]1C(=C)C)S(=O)(=O)c1ccc(cc1)C)O
• Title of publication: Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.
• Authors of publication: Cariou, Claire A. M.; Snaith, John S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 51 - 53
• a: 22.4722 ± 0.0003 Å
• b: 7.8727 ± 0.0001 Å
• c: 19.961 ± 0.0002 Å
• α: 90°
• β: 112.178 ± 0.001°
• γ: 90°
• Cell volume: 3270.17 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No