Information card for entry 7028545

Structure parameters

• Formula: C21 H42.5 Cl2 Cu N7.5 O11
• Calculated formula: C21 H42.5 Cl2 Cu N7.5 O11
• Title of publication: PET imaging of tumours with a 64Cu labeled macrobicyclic cage amine ligand tethered to Tyr3-octreotate.
• Authors of publication: Paterson, Brett M.; Roselt, Peter; Denoyer, Delphine; Cullinane, Carleen; Binns, David; Noonan, Wayne; Jeffery, Charmaine M.; Price, Roger I.; White, Jonathan M.; Hicks, Rodney J.; Donnelly, Paul S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1386 - 1396
• a: 15.5144 ± 0.0003 Å
• b: 8.9798 ± 0.0002 Å
• c: 42.7107 ± 0.0011 Å
• α: 90°
• β: 94.906 ± 0.002°
• γ: 90°
• Cell volume: 5928.5 ± 0.2 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No