Information card for entry 1504921

Structure parameters

• Formula: C26 H10 F10 N2 O4 Pd
• Calculated formula: C26 H10 F10 N2 O4 Pd
• SMILES: c1ccccc1[N]1=Cc2cccc[n]2[Pd]1(OC(=O)c1c(F)c(F)c(F)c(F)c1F)OC(=O)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: A bench-stable Pd catalyst for the hydroarylation of fullerene with boronic acids.
• Authors of publication: Mori, Susumu; Nambo, Masakazu; Chi, Liang-Chen; Bouffard, Jean; Itami, Kenichiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4609 - 4612
• a: 9.38 ± 0.007 Å
• b: 10.986 ± 0.008 Å
• c: 13.109 ± 0.01 Å
• α: 97.608 ± 0.009°
• β: 108.089 ± 0.01°
• γ: 97.256 ± 0.009°
• Cell volume: 1252.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1747
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No