Information card for entry 7024568

Structure parameters

• Formula: C36 H48 Cu N2 O6 S2
• Calculated formula: C36 H48 Cu N2 O6 S2
• Title of publication: In vitro studies of 3-hydroxy-4-pyridinones and their glycosylated derivatives as potential agents for Alzheimer's disease.
• Authors of publication: Green, David E.; Bowen, Meryn L.; Scott, Lauren E.; Storr, Tim; Merkel, Michael; Böhmerle, Karin; Thompson, Katherine H.; Patrick, Brian O.; Schugar, Harvey J.; Orvig, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1604 - 1615
• a: 16.8807 ± 0.0019 Å
• b: 21.182 ± 0.002 Å
• c: 10.6465 ± 0.0009 Å
• α: 90°
• β: 100.614 ± 0.004°
• γ: 90°
• Cell volume: 3741.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No