Information card for entry 1553040

Structure parameters

• Formula: C27 H31 N O6 S
• Calculated formula: C27 H31 N O6 S
• Title of publication: Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes
• Authors of publication: Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 221
• a: 18.2388 ± 0.0011 Å
• b: 14.6418 ± 0.0008 Å
• c: 20.7375 ± 0.0012 Å
• α: 90°
• β: 90.251 ± 0.002°
• γ: 90°
• Cell volume: 5537.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2011
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No