Information card for entry 7150984

Structure parameters

• Formula: C16 H21 Cl N O5 S
• Calculated formula: C16 H21 Cl N O5 S
• Title of publication: Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations
• Authors of publication: Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3337 - 3348
• a: 9.7846 ± 0.0005 Å
• b: 20.8046 ± 0.0011 Å
• c: 9.7963 ± 0.0005 Å
• α: 90°
• β: 109.656 ± 0.004°
• γ: 90°
• Cell volume: 1877.98 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No