Information card for entry 7004814

Structure parameters

• Formula: C14 H14 Cl3 N O2
• Calculated formula: C14 H14 Cl3 N O2
• SMILES: Cc1c(c(=O)ccn1Cc1ccccc1)O.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: 11.7981 ± 0.0013 Å
• b: 10.8093 ± 0.0013 Å
• c: 12.5786 ± 0.0015 Å
• α: 90°
• β: 107.76 ± 0.006°
• γ: 90°
• Cell volume: 1527.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No