Information card for entry 7044785

Structure parameters

• Formula: C19 H19 N3 O8
• Calculated formula: C19 H19 N3 O8
• Title of publication: Amino Acid Based Gallium-68 Chelators Capable of Radiolabeling at Neutral pH
• Authors of publication: Price, Thomas W.; Gallo, Juan; Kubicek, Vojtech; Bohmova, Zuzana; Prior, Timothy J.; Greenman, John; Hermann, Petr; Stasiuk, Graeme J.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 7.0852 ± 0.0006 Å
• b: 32.29 ± 0.004 Å
• c: 7.6786 ± 0.0006 Å
• α: 90°
• β: 94.108 ± 0.007°
• γ: 90°
• Cell volume: 1752.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No