Information card for entry 7057138

Structure parameters

• Chemical name: 2-[(2-imidazol-4-yl)ethyliminomethyl]-5-methylphenol
• Formula: C13 H15 N3 O
• Calculated formula: C13 H15 N3 O
• 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: 10.4959 ± 0.0003 Å
• b: 9.9047 ± 0.0003 Å
• c: 23.1897 ± 0.0006 Å
• α: 90°
• β: 106.365 ± 0.002°
• γ: 90°
• Cell volume: 2313.1 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No