Information card for entry 7046637

Structure parameters

• Formula: C21 H25 N3 O4
• Calculated formula: C21 H25 N3 O4
• Title of publication: N,1,4-Tri(4-alkoxy-2-hydroxybenzyl)-DAZA: efficient one-pot synthesis and labelling with ⁶⁸Ga for PET liver imaging in ovo.
• Authors of publication: Greiser, Julia; Kühnel, Christian; Görls, Helmar; Weigand, Wolfgang; Freesmeyer, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9000 - 9007
• a: 11.6451 ± 0.0006 Å
• b: 15.7066 ± 0.0007 Å
• c: 11.7436 ± 0.0006 Å
• α: 90°
• β: 117.744 ± 0.002°
• γ: 90°
• Cell volume: 1901.02 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No