Information card for entry 4341350

Structure parameters

• Formula: C28 H20 Cu N2 O4 S2
• Calculated formula: C28 H20 Cu N2 O4 S2
• Title of publication: Small Bifunctional Chelators That Do Not Disaggregate Amyloid β Fibrils Exhibit Reduced Cellular Toxicity.
• Authors of publication: Sharma, Anuj K.; Kim, Jaekwang; Prior, John T.; Hawco, Nicholas J.; Rath, Nigam P.; Kim, Jungsu; Mirica, Liviu M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11367 - 11376
• a: 8.3782 ± 0.0003 Å
• b: 22.6181 ± 0.0008 Å
• c: 12.9135 ± 0.0004 Å
• α: 90°
• β: 91.914 ± 0.002°
• γ: 90°
• Cell volume: 2445.73 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1264
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No