Information card for entry 2300126

Structure parameters

• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: Oc1cccc2c1nc(/C=C/c1ccc3c(n1)cccc3)cc2
• Title of publication: Synthesis, crystal structure and biological activity of 2-[2-(quinolin-2-yl)vinyl]-8-hydroxyquinoline and 2-[2-(quinolin-4-yl)vinyl]-8-hydroxyquinoline
• Authors of publication: Zeng, He-Ping; Wang, Ting-Ting; Xu, Dan-Feng; Cai, Yue-Peng; Chen, Dong-Feng
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 471 - 475
• a: 21.5111 ± 0.0007 Å
• b: 21.5111 ± 0.0007 Å
• c: 13.2377 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6125.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes