Information card for entry 7133790

Structure parameters

• Formula: C27 H36 Bi F N6 Na O15
• Calculated formula: C27 H37 Bi F N6 Na O15
• Title of publication: Fluorine-18 incorporation and radiometal coordination in macropa ligands for PET imaging and targeted alpha therapy.
• Authors of publication: Kanagasundaram, Thines; Sun, Yang; Lee, Kevin K.; MacMillan, Samantha N.; Brugarolas, Pedro; Wilson, Justin J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 83
• Pages of publication: 11940 - 11943
• a: 10.1737 ± 0.0001 Å
• b: 12.4225 ± 0.0001 Å
• c: 15.0689 ± 0.0002 Å
• α: 68.938 ± 0.001°
• β: 85.221 ± 0.001°
• γ: 79.107 ± 0.001°
• Cell volume: 1744.95 ± 0.03 ų
• Cell temperature: 108.29 ± 0.1 K
• Ambient diffraction temperature: 108.29 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No