Information card for entry 1571295

Structure parameters

• Formula: C17 H15.25 F N2 O2.125
• Calculated formula: C17 H15.25 F N2 O2.125
• 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: 29.9395 ± 0.0003 Å
• b: 27.5788 ± 0.0003 Å
• c: 7.07968 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5845.66 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No