Information card for entry 4329359

Structure parameters

• Formula: C16 H22 Cu N4 O7
• Calculated formula: C16 H22.02 Cu N4 O7
• Title of publication: Evaluation of the H2dedpa Scaffold and its cRGDyK Conjugates for Labeling with 64Cu
• Authors of publication: Eszter Boros; Jacqueline F. Cawthray; Cara L. Ferreira; Brian O. Patrick; Michael J. Adam; Chris Orvig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6279 - 6284
• a: 11.352 ± 0.002 Å
• b: 15.584 ± 0.003 Å
• c: 10.6461 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883.4 ± 0.6 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No