Information card for entry 7159277

Structure parameters

• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• SMILES: O(c1c2ccc(nc2cc(OC)c1)c1c(O)cccc1)C
• Title of publication: Concise synthesis of 2,3-disubstituted quinoline derivatives <i>via</i> ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.
• Authors of publication: Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3582 - 3587
• a: 14.9864 ± 0.0005 Å
• b: 4.8723 ± 0.00014 Å
• c: 18.6483 ± 0.0006 Å
• α: 90°
• β: 102.739 ± 0.003°
• γ: 90°
• Cell volume: 1328.15 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No