Information card for entry 7249055

Structure parameters

• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• Title of publication: A novel aurone RNA CAG binder inhibits the Huntingtin RNA–protein interaction
• Authors of publication: Ballarin, Giovanna; Biasiotto, Maddalena; Reisbitzer, Annika; Hegels, Marlen; Bolte, Michael; Krauß, Sybille; Berdnikova, Daria V.
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 8.6748 ± 0.0008 Å
• b: 16.7658 ± 0.0012 Å
• c: 11.7777 ± 0.0011 Å
• α: 90°
• β: 98.695 ± 0.008°
• γ: 90°
• Cell volume: 1693.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.133
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.392
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No