Information card for entry 4327964

Structure parameters

• Formula: C75 H51 N O4 Zn
• Calculated formula: C75 H51 N O4 Zn
• SMILES: c12ccccc2cc2ccccc2c1/C=C/C1=CC(/C=C/c2c3ccccc3cc3ccccc23)=[O][Zn]2([n]3ccccc3)(O1)OC(=CC(/C=C/c1c3ccccc3cc3ccccc13)=[O]2)/C=C/c1c2ccccc2cc2ccccc12
• Title of publication: Crystal Structure, Fluorescence, and Nanostructuration Studies of the First ZnII Anthracene-Based Curcuminoid
• Authors of publication: Núria Aliaga-Alcalde; Laura Rodríguez; Marilena Ferbinteanu; Petra Höfer; Thomas Weyhermüller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 864 - 873
• a: 23.545 ± 0.016 Å
• b: 8.979 ± 0.006 Å
• c: 13.021 ± 0.009 Å
• α: 90°
• β: 91.567 ± 0.015°
• γ: 90°
• Cell volume: 2752 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No