Information card for entry 1559918

Structure parameters

• Formula: C42 H42 N4 O6
• Calculated formula: C42 H42 N4 O6
• SMILES: c1(nc(c([nH]1)c1ccc(c2c(c3ccccc3)nc([nH]2)c2c(OC)cccc2OC)cc1)c1ccccc1)c1c(OC)cccc1OC.CO.CO
• 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: 29.7268 ± 0.0014 Å
• b: 8.238 ± 0.0005 Å
• c: 14.9613 ± 0.0008 Å
• α: 90°
• β: 96.354 ± 0.003°
• γ: 90°
• Cell volume: 3641.4 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No