Information card for entry 7125458

Structure parameters

• Chemical name: 2-furyl(2-phenyl-3-quinolinyl)methanone
• Formula: C20 H13 N O2
• Calculated formula: C20 H13 N O2
• Title of publication: Transition metal-free one-pot double C-H functionalization of quinolines with disubstituted electron-deficient acetylenes.
• Authors of publication: Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Mal'kina, A. G.; Afonin, A. V.; Ushakov, I. A.; Vashchenko, A. V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 5863 - 5866
• a: 12.115 ± 0.0009 Å
• b: 16.3598 ± 0.0014 Å
• c: 7.7826 ± 0.0006 Å
• α: 90°
• β: 108.183 ± 0.003°
• γ: 90°
• Cell volume: 1465.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0471
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No