Information card for entry 7157982

Structure parameters

• Formula: C22 H16 F N O
• Calculated formula: C22 H16 F N O
• SMILES: O(c1cc2c(nc(c(c2)c2ccccc2)c2ccc(F)cc2)cc1)C
• Title of publication: Copper(ii) triflate catalyzed three-component reaction for the synthesis of 2,3-diarylquinoline derivatives using aryl amines, aryl aldehydes and styrene oxides.
• Authors of publication: Ali, Saghir; Khan, Abu T.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 3255 - 3262
• a: 13.9206 ± 0.0006 Å
• b: 9.0995 ± 0.0004 Å
• c: 14.8399 ± 0.0006 Å
• α: 90°
• β: 116.476 ± 0.001°
• γ: 90°
• Cell volume: 1682.63 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No