Information card for entry 7024567

Structure parameters

• Formula: C13 H19 N O7
• Calculated formula: C13 H19 N O7
• SMILES: O1[C@@H](Oc2c(n(ccc2=O)C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
• 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: 8.2508 ± 0.0008 Å
• b: 8.0153 ± 0.0006 Å
• c: 11.6332 ± 0.0012 Å
• α: 90°
• β: 113.797 ± 0.004°
• γ: 90°
• Cell volume: 703.93 ± 0.11 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No