Information card for entry 1507341

Structure parameters

• Chemical name: 6-dimethylaminopyridoxine-a4-(tert-butyldimethylsilyl ether)
• Formula: C16 H30 N2 O3 Si
• Calculated formula: C16 H30 N2 O3 Si
• SMILES: [Si](OCc1c(c(nc(c1O)C)N(C)C)CO)(C)(C)C(C)(C)C
• Title of publication: Synthesis of a novel radical trapping and carbonyl group trapping anti-AGE agent: a pyridoxamine analogue for inhibiting advanced glycation (AGE) and lipoxidation (ALE) end products.
• Authors of publication: Culbertson, Sean M.; Enright, Gary D.; Ingold, K. U.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2659 - 2662
• a: 15.6916 ± 0.0012 Å
• b: 8.0862 ± 0.0006 Å
• c: 16.936 ± 0.0018 Å
• α: 90°
• β: 118.437 ± 0.01°
• γ: 90°
• Cell volume: 1889.6 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No