Information card for entry 1571296

Structure parameters

• Formula: C17 H15 N3 O4
• Calculated formula: C17 H15 N3 O4
• 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: 3.85501 ± 0.00008 Å
• b: 13.319 ± 0.0003 Å
• c: 14.7962 ± 0.0003 Å
• α: 90°
• β: 94.88 ± 0.002°
• γ: 90°
• Cell volume: 756.96 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No