Information card for entry 4326613

Structure parameters

• Formula: C14 H15 Cl2 N3 Zn
• Calculated formula: C14 H15 Cl2 N3 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2C=[N]1c1ccc(N(C)C)cc1
• Title of publication: Development of Bifunctional Stilbene Derivatives for Targeting and Modulating Metal-Amyloid-β Species
• Authors of publication: Joseph J. Braymer; Jung-Suk Choi; Alaina S. DeToma; Chen Wang; Kisoo Nam; Jeffrey W. Kampf; Ayyalusamy Ramamoorthy; Mi Hee Lim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10724 - 10734
• a: 7.0223 ± 0.0014 Å
• b: 7.3368 ± 0.0015 Å
• c: 15.339 ± 0.003 Å
• α: 91.54 ± 0.03°
• β: 94.37 ± 0.03°
• γ: 94.39 ± 0.03°
• Cell volume: 785.2 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No