Information card for entry 7123636

Structure parameters

• Common name: 2a, AT485
• Chemical name: [(2-Hydroxymethyl-4-methoxy-5-(methyl))phenyl]iodobis(triphenyl-phosphine)palladium
• Formula: C45 H41 I O2 P2 Pd
• Calculated formula: C45 H41 I O2 P2 Pd
• Title of publication: Bioconjugated arylpalladium complexes on solid supports for a convenient last-step synthesis of 11C-labelled tracers for positron emission tomography
• Authors of publication: Tabey, Alexis; Audrain, Hélène; Fouquet, Eric; Hermange, Philippe
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.4172 ± 0.0017 Å
• b: 16.1367 ± 0.0016 Å
• c: 30.889 ± 0.003 Å
• α: 90°
• β: 93.186 ± 0.002°
• γ: 90°
• Cell volume: 8668.1 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No