Information card for entry 7057142

Structure parameters

• Chemical name: 2-[2-(4-hydroxyphenyl)ethyliminomethyl]-5-methylphenol
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• Title of publication: Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis
• Authors of publication: Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5193
• a: 7.3079 ± 0.0005 Å
• b: 11.7966 ± 0.0008 Å
• c: 15.5593 ± 0.0011 Å
• α: 89.413 ± 0.004°
• β: 77.258 ± 0.003°
• γ: 80.098 ± 0.004°
• Cell volume: 1288.28 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No