Information card for entry 1571297

Structure parameters

• Formula: C20 H25 N3 O3
• Calculated formula: C20 H25 N3 O3
• Title of publication: Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.
• Authors of publication: Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 6053 - 6063
• a: 7.0514 ± 0.0006 Å
• b: 17.1123 ± 0.001 Å
• c: 30.72 ± 0.002 Å
• α: 90°
• β: 91.352 ± 0.008°
• γ: 90°
• Cell volume: 3705.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No