Information card for entry 7220695

Structure parameters

• Formula: C94 H70 Eu2 F24 N2 O18 S8
• Calculated formula: C94 H70 Eu2 F24 N2 O18 S8
• SMILES: C[n+]1ccc(cc1)/C=C/c1cc(c(/C=C/c2cc[n+](C)cc2)cc1OCCCC)OCCCC.s1cccc1C1=[O][Eu]234(OC(=C1)C(F)(F)F)(OC(=CC(=[O]2)c1sccc1)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)c1sccc1)OC(=CC(=[O]4)C(F)(F)F)c1sccc1.FC(F)(F)C1=CC(=[O][Eu]234(O1)(OC(=CC(=[O]2)c1sccc1)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)c1sccc1)OC(=CC(=[O]4)C(F)(F)F)c1sccc1)c1sccc1
• Title of publication: A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging
• Authors of publication: Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 5562
• a: 10.1025 ± 0.0002 Å
• b: 12.953 ± 0.0003 Å
• c: 21.3753 ± 0.0004 Å
• α: 104.286 ± 0.001°
• β: 99.437 ± 0.001°
• γ: 102.3 ± 0.001°
• Cell volume: 2578.22 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No