Information card for entry 7108989

Structure parameters

• Formula: C11 H18 Cl2 Cu N4 O5
• Calculated formula: C11 H18 Cl2 Cu N4 O5.008
• Title of publication: A potent antioxidant small molecule aimed at targeting metal-based oxidative stress in neurodegenerative disorders
• Authors of publication: Kimberly M. Lincoln; Paulina Gonzalez; Timothy E. Richardson; David A. Julovich; Ryker Saunders; James W.Simpkins; Kayla N. Green
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2712
• a: 11.454 ± 0.005 Å
• b: 8.985 ± 0.004 Å
• c: 18.166 ± 0.006 Å
• α: 90°
• β: 122.113 ± 0.019°
• γ: 90°
• Cell volume: 1583.5 ± 1.2 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 6
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No