Information card for entry 2239004

Structure parameters

• Chemical name: 7-Diethylamino-3-{(<i>E</i>)-4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]styryl}-2<i>H</i>-chromen-2-one
• Formula: C28 H26 N2 O2
• Calculated formula: C28 H26 N2 O2
• SMILES: CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1ccc(cc1)/C=C/c1ccncc1)CC
• Title of publication: 7-Diethylamino-3-{(<i>E</i>)-4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]styryl}-2<i>H</i>-chromen-2-one
• Authors of publication: Zhou, Li-Ping; Long, Ling-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o176
• a: 15.511 ± 0.003 Å
• b: 8.4745 ± 0.0017 Å
• c: 16.882 ± 0.007 Å
• α: 90°
• β: 97.73 ± 0.03°
• γ: 90°
• Cell volume: 2198.9 ± 1.1 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: 0.1058
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes