Information card for entry 4024866

Structure parameters

• Formula: C23 H25 N O2 S
• Calculated formula: C23 H25 N O2 S
• Title of publication: Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway
• Authors of publication: Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6929 - 6935
• a: 10.1897 ± 0.0006 Å
• b: 10.7592 ± 0.0007 Å
• c: 10.8037 ± 0.0006 Å
• α: 96.225 ± 0.002°
• β: 106.497 ± 0.002°
• γ: 117.853 ± 0.002°
• Cell volume: 962.65 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0544
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No