Information card for entry 7102547

Structure parameters

• Formula: C16 H23 N O3 S
• Calculated formula: C15.993 H22.993 N O2.998 S0.999
• Title of publication: Aminative rearrangement of 2-alkoxy-3,4-dihydro-2H-pyrans: a novel stereocontrolled route to substituted pyrrolidines.
• Authors of publication: Armstrong, Alan; Cumming, Graham R; Pike, Kurt
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 812 - 813
• a: 7.224 ± 0.003 Å
• b: 14.064 ± 0.006 Å
• c: 32.806 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3333 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No