Information card for entry 1515453

Structure parameters

• Common name: Hdapp
• Formula: C15 H20 N2 O3
• Calculated formula: C15 H20 N2 O3
• SMILES: Cc1c(c(=O)ccn1c1ccc(cc1)N(C)C)O.CO
• Title of publication: N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
• Authors of publication: Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 642
• a: 7.5438 ± 0.0008 Å
• b: 9.0878 ± 0.0009 Å
• c: 11.3719 ± 0.0012 Å
• α: 85.485 ± 0.006°
• β: 78.375 ± 0.006°
• γ: 69.76 ± 0.005°
• Cell volume: 716.44 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No