Information card for entry 7104501

Structure parameters

• Formula: C25 H46 Cl Cu F3 N8 O9 S
• Calculated formula: C25 H46 Cl Cu F3 N8 O9 S
• Title of publication: A new bifunctional chelator for copper radiopharmaceuticals: a cage amine ligand with a carboxylate functional group for conjugation to peptides.
• Authors of publication: Ma, Michelle T; Karas, John A; White, Jonathan M; Scanlon, Denis; Donnelly, Paul S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3237 - 3239
• a: 12.4608 ± 0.0013 Å
• b: 20.445 ± 0.002 Å
• c: 13.2263 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3369.6 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No