Information card for entry 7057559

Structure parameters

• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• 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: 8.0221 ± 0.0002 Å
• b: 8.5085 ± 0.0002 Å
• c: 23.2424 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.43 ± 0.06 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No