Information card for entry 7158277

Structure parameters

• Formula: C22 H16 N2 O2
• Calculated formula: C22 H16 N2 O2
• SMILES: O=C(c1n2c(nc1c1ccccc1)cccc2)C(=O)c1ccc(cc1)C
• Title of publication: Gold-catalyzed oxidation of terminal alkynes to glyoxals and their reactions with 2-phenylimidazo[1,2-<i>a</i>]pyridines: one-pot synthesis of 1,2-diones.
• Authors of publication: Liao, Shengrong; Xu, Huayan; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Lin, Xiuping; Liu, Yonghong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 40
• Pages of publication: 8735 - 8739
• a: 19.2136 ± 0.0002 Å
• b: 10.6907 ± 0.0001 Å
• c: 8.1348 ± 0.0001 Å
• α: 90°
• β: 98.4 ± 0.001°
• γ: 90°
• Cell volume: 1653.02 ± 0.03 ų
• Cell temperature: 110 ± 15 K
• Ambient diffraction temperature: 110 ± 15 K
• Number of distinct elements: 4
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No