Information card for entry 4101473

Structure parameters

• Formula: C17 H23 N O2 S
• Calculated formula: C17 H23 N O2 S
• Title of publication: Asymmetric catalysis of the [5 + 2] cycloaddition reaction of vinylcyclopropanes and pi-systems.
• Authors of publication: Wender, Paul A; Haustedt, Lars O; Lim, Jaehong; Love, Jennifer A; Williams, Travis J; Yoon, Joo-Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6302 - 6303
• a: 6.5195 ± 0.0005 Å
• b: 14.0366 ± 0.0011 Å
• c: 19.108 ± 0.0014 Å
• α: 107.401 ± 0.001°
• β: 99.129 ± 0.001°
• γ: 98.266 ± 0.001°
• Cell volume: 1613.2 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No