Information card for entry 4038573

Structure parameters

• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• Title of publication: Copper-Catalyzed Modular Assembly of Polyheterocycles.
• Authors of publication: Wang, Qian; Tuinhof, Jesse; Mgimpatsang, Kumchok C.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.47937 ± 0.00005 Å
• b: 21.40602 ± 0.00008 Å
• c: 18.35435 ± 0.00009 Å
• α: 90°
• β: 93.8774 ± 0.0003°
• γ: 90°
• Cell volume: 3715.86 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No