Information card for entry 7125456

Structure parameters

• Common name: 2-(3-benzoyl-6-chloro-2-phenyl-1,4-dihydro-4-quinolinyl)acetaldehyde
• Chemical name: 2-(3-benzoyl-6-chloro-2-phenyl-1,4-dihydro-4-quinolinyl)acetaldehyde
• Formula: C24 H18 Cl N O2
• Calculated formula: C24 H18 Cl 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: 10.9587 ± 0.0003 Å
• b: 7.7456 ± 0.0002 Å
• c: 22.4121 ± 0.0007 Å
• α: 90°
• β: 100.151 ± 0.001°
• γ: 90°
• Cell volume: 1872.6 ± 0.09 ų
• Cell temperature: 296.15 ± 0.02 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0783
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No