Information card for entry 7123901

Structure parameters

• Formula: C26 H26 N4 O9
• Calculated formula: C26 H26 N4 O9
• Title of publication: Highly diastereoselective [5+1] annulation to 2,2,3-trisubstituted tetrahydroquinoxalines via intramolecular Mannich-type trapping of ammonium ylides
• Authors of publication: Guan, Xiao-Yu; Tang, Min; Liu, Zhang-Qin; Hu, WenHao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9231 ± 0.0009 Å
• b: 12.3032 ± 0.0012 Å
• c: 14.0647 ± 0.0013 Å
• α: 97.079 ± 0.003°
• β: 99.017 ± 0.003°
• γ: 105.178 ± 0.003°
• Cell volume: 1287.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.3702
• Weighted residual factors for all reflections included in the refinement: 0.379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No