Information card for entry 7120113

Structure parameters

• Formula: C29 H26 N2 O6 S
• Calculated formula: C29 H26 N2 O6 S
• Title of publication: Access to dihydropyridinones and spirooxindoles: application of N-heterocyclic carbene-catalyzed [3+3] annulation of enals and oxindole-derived enals with 2-aminoacrylates
• Authors of publication: Zhao, Liang-Liang; Li, Xing-Shuo; Cao, Li-Li; Zhang, Rui; Shi, Xiao-Qian; Qi, Jing
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.487 ± 0.0004 Å
• b: 25.8357 ± 0.0006 Å
• c: 9.2054 ± 0.0003 Å
• α: 90°
• β: 110.444 ± 0.004°
• γ: 90°
• Cell volume: 2559.86 ± 0.15 ų
• Cell temperature: 289.56 ± 0.1 K
• Ambient diffraction temperature: 289.56 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No