Information card for entry 7108021

Structure parameters

• Formula: C48 H40 N4 O2
• Calculated formula: C48 H40 N4 O2
• SMILES: OC.OC.n1ccc(c2ccc(C(=C(c3ccc(cc3)c3ccncc3)c3ccc(cc3)c3ccncc3)c3ccc(cc3)c3ccncc3)cc2)cc1
• Title of publication: Turn-on of the fluorescence of tetra(4-pyridylphenyl)ethylene by the synergistic interactions of mercury(II) cation and hydrogen sulfate anion
• Authors of publication: Guangxi Huang; Guanxin Zhang; Deqing Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7504
• a: 13.118 ± 0.003 Å
• b: 9.4837 ± 0.0019 Å
• c: 34.086 ± 0.007 Å
• α: 90°
• β: 91.08 ± 0.004°
• γ: 90°
• Cell volume: 4239.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No