Information card for entry 1559917

Structure parameters

• Formula: C46 H54 N4 O4
• Calculated formula: C46 H54 N4 O4
• SMILES: n1c([nH]c(c1c1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1c(cc(cc1C)C)C)c1ccccc1)c1c(cc(cc1C)C)C.OC.OC.OC.OC
• Title of publication: Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes
• Authors of publication: Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2020
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 22398 - 22412
• a: 15.8859 ± 0.0003 Å
• b: 18.0676 ± 0.0003 Å
• c: 29.0581 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8340.3 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No