Information card for entry 7004813

Structure parameters

• Formula: C26 H22 Cl6 Cu N2 O4
• Calculated formula: C26 H22 Cl6 Cu N2 O4
• SMILES: CC1=C2C(C=CN1c1ccccc1)=[O][Cu]1(O2)[O]=C2C(=C(C)N(C=C2)c2ccccc2)O1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Altering pyridinone N-substituents to optimise activity as potential prodrugs for Alzheimer's disease
• Authors of publication: Scott, Lauren E.; Page, Brent D. G.; Patrick, Brian O.; Orvig, Chris
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6364 - 6367
• a: 11.5466 ± 0.0011 Å
• b: 11.6975 ± 0.0011 Å
• c: 20.9936 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2835.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No