Information card for entry 2312048

Structure parameters

• Common name: {2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-styryl]quinolin-3-yl}(phenyl)methanone
• Chemical name: {2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinolin-3-yl}(phenyl)methanone
• Formula: C32 H22 Br N O
• Calculated formula: C32 H22 Br N O
• SMILES: n1c(c(c(c2ccccc12)/C=C/c1ccccc1)C(=O)c1ccccc1)/C=C/c1ccc(Br)cc1
• Title of publication: Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.
• Authors of publication: Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 94 - 103
• a: 12.287 ± 0.002 Å
• b: 15.528 ± 0.003 Å
• c: 12.844 ± 0.003 Å
• α: 90°
• β: 99.877 ± 0.006°
• γ: 90°
• Cell volume: 2414.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0857
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes