Information card for entry 7155306

Structure parameters

• Chemical name: 1-(2,4-diphenyl-6-(p-tolyl)pyridin-1(2H)-yl)ethanone
• Formula: C26 H23 N O
• Calculated formula: C26 H23 N O
• SMILES: O=C(N1C(=CC(=CC1c1ccccc1)c1ccccc1)c1ccc(cc1)C)C
• Title of publication: BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.
• Authors of publication: Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 10165 - 10169
• a: 12.523 ± 0.013 Å
• b: 9.952 ± 0.01 Å
• c: 16.598 ± 0.018 Å
• α: 90°
• β: 107.466 ± 0.016°
• γ: 90°
• Cell volume: 1973 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1085
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.655
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No