Information card for entry 2244122

Structure parameters

• Chemical name: 8-Hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline
• Formula: C27 H27 N O
• Calculated formula: C27 H27 N O
• SMILES: O(CCCCCC)c1c2nc(/C=C\c3cc4c(cccc4)cc3)ccc2ccc1
• Title of publication: Crystal structure of 8-hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline
• Authors of publication: Liu, Xiaozhou; Wang, Lu; Feng, Ying; Cui, Deliang; Liu, Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 8
• a: 14.416 ± 0.003 Å
• b: 5.8569 ± 0.001 Å
• c: 25.354 ± 0.005 Å
• α: 90°
• β: 96.116 ± 0.003°
• γ: 90°
• Cell volume: 2128.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1086
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes