Information card for entry 1554492

Structure parameters

• Formula: C70 H56 Ag5 Cl2 N6 P4
• Calculated formula: C70 H56 Ag5 Cl2 N6 P4
• SMILES: c1c(c2nc3[n]([Ag]4[P](C([P](c5ccccc5)([Ag]4N3)c3ccccc3)[Ag]C3[P]([Ag]4Nc5nc(cc[n]5[Ag]4[P]3(c3ccccc3)c3ccccc3)c3cc(Cl)ccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(Cl)cc1
• Title of publication: Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
• Authors of publication: Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 426
• a: 27.38 ± 0.03 Å
• b: 26.9 ± 0.03 Å
• c: 24.03 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17699 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No