Information card for entry 7133718

Structure parameters

• Formula: C31 H25 N O4 S
• Calculated formula: C31 H25 N O4 S
• Title of publication: One-pot synthesis of functionalized dihydropyridin-2-ones <i>via</i> carbene-catalyzed base-controlled [3+3] annulation reaction.
• Authors of publication: Wang, Zhan-Yong; Ma, Guoyang; Xu, Yaoyao; Wang, Qingqing; Zhang, Mengru; Ma, Xueji; Ma, Chenyang; Sun, Aili; Xia, Ran; Liu, Hongxin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11327 - 11330
• a: 8.671 ± 0.002 Å
• b: 10.576 ± 0.002 Å
• c: 14.37 ± 0.003 Å
• α: 91.73 ± 0.004°
• β: 99.279 ± 0.004°
• γ: 92.54 ± 0.003°
• Cell volume: 1298.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0666
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1352
• 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: No
• Has Fobs: No