Information card for entry 7057560

Structure parameters

• Formula: C48 H54 N2 O6
• Calculated formula: C48 H54 N2 O6
• Title of publication: Design of functionalized β-ketoenole derivatives as efficient fluorescent dyes for detection of amyloid fibrils
• Authors of publication: Kovalska, Vladyslava; Chernii, Svitlana; Losytskyy, Mykhaylo; Tretyakova, Iryna; Dovbii, Yan; Gorski, Alexandr; Chernii, Victor; Czerwieniec, Rafal; Yarmoluk, Sergiy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13308
• a: 22.0779 ± 0.0002 Å
• b: 7.2235 ± 0.0001 Å
• c: 25.3699 ± 0.0003 Å
• α: 90°
• β: 94.519 ± 0.001°
• γ: 90°
• Cell volume: 4033.41 ± 0.08 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No