Information card for entry 7156336

Structure parameters

• Formula: C20 H21 Cl N2 O3
• Calculated formula: C20 H21 Cl N2 O3
• Title of publication: A silver catalyzed domino reaction of N-cyanamide alkenes and 1,3-dicarbonyls for the synthesis of quinazolinones.
• Authors of publication: Xu, Gang; Tong, Chaodi; Cui, Sunliang; Dai, Liyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 5899 - 5906
• a: 9.114 ± 0.004 Å
• b: 8.76 ± 0.003 Å
• c: 11.937 ± 0.005 Å
• α: 90°
• β: 98.233 ± 0.006°
• γ: 90°
• Cell volume: 943.2 ± 0.7 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: 0.0793
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No