Information card for entry 2312047

Structure parameters

• Common name: 2-[(<i>E</i>)-2,4-Dichlorostyryl]-4-[(<i>E</i>)-styryl]quinoline
• Chemical name: 2-[(<i>E</i>)-2-(2,4-Dichlorophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinoline
• Formula: C25 H17 Cl2 N
• Calculated formula: C25 H17 Cl2 N
• SMILES: n1c(cc(c2ccccc12)/C=C/c1ccccc1)/C=C/c1c(Cl)cc(Cl)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: 28.495 ± 0.0007 Å
• b: 9.5384 ± 0.0003 Å
• c: 16.052 ± 0.0005 Å
• α: 90°
• β: 118.581 ± 0.001°
• γ: 90°
• Cell volume: 3831.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes