Information card for entry 4121005

Structure parameters

• Formula: C54 H84 B2 Cu2 F8 N17 O4 S2
• Calculated formula: C54 H82 B2 Cu2 F8 N17 O4 S2
• Title of publication: Diagnostic Imaging Agents for Alzheimer's Disease: Copper Radiopharmaceuticals that Target Aβ Plaques
• Authors of publication: James L. Hickey; SinChun Lim; David J. Hayne; Brett M. Paterson; Jonathan M. White; Victor L. Villemagne; Peter Roselt; David Binns; Carleen Cullinane; Charmaine M. Jeffery; Roger I. Price; Kevin J. Barnham; Paul S. Donnelly
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16120 - 16132
• a: 14.4502 ± 0.0001 Å
• b: 29.0584 ± 0.0002 Å
• c: 15.5096 ± 0.0001 Å
• α: 90°
• β: 95.743 ± 0.001°
• γ: 90°
• Cell volume: 6479.79 ± 0.08 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 8
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No