Information card for entry 7056610

Structure parameters

• Formula: C24 H18 O4
• Calculated formula: C24 H18 O4
• SMILES: c1c2ccc(OCCOc3c(C=O)c4ccccc4cc3)c(C=O)c2ccc1
• Title of publication: A new macrocyclic ligand as a turn-on fluorescent chemosensor for the recognition of Pb2+ ions
• Authors of publication: Azadbakht, Reza; Hakimi, Mohammad; Khanabadi, Javad; Amiri Rudbari, Hadi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 12198 - 12204
• a: 33.17 ± 0.007 Å
• b: 3.969 ± 0.0008 Å
• c: 13.572 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1786.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No