Information card for entry 4117816

Structure parameters

• Formula: C143 H139 Cl2 N23 O23 S6 Zn6
• Calculated formula: C143 H129 Cl2 N23 O23 S6 Zn6
• Title of publication: Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide
• Authors of publication: Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6625 - 6636
• a: 24.349 ± 0.0009 Å
• b: 24.349 ± 0.0009 Å
• c: 24.349 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14435.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No