Information card for entry 1502586

Structure parameters

• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: O=C(OCC)c1n(c2ccccc2)c(nc1c1ccccc1)c1ccccc1
• Title of publication: Catalyst-free preparation of 1,2,4,5-tetrasubstituted imidazoles from a novel unexpected domino reaction of 2-azido acrylates and nitrones.
• Authors of publication: Hu, Bao; Wang, Zhao; Ai, Ning; Zheng, Jie; Liu, Xing-Hai; Shan, Shang; Wang, Zhongwen
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6362 - 6365
• a: 8.797 ± 0.004 Å
• b: 9.896 ± 0.005 Å
• c: 22.154 ± 0.011 Å
• α: 95.763 ± 0.01°
• β: 92.756 ± 0.01°
• γ: 98.775 ± 0.013°
• Cell volume: 1892.5 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No