Information card for entry 4347108

Structure parameters

• Formula: C34 H36 F12 N10 O8 Pd2
• Calculated formula: C34 H36 F12 N10 O8 Pd2
• SMILES: FC(F)(F)C(=O)O[Pd](=C1N(C(C)C)N=CN1CCN1C(N(C(C)C)N=C1)=[Pd]([n]1ccccc1)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)([n]1ccccc1)OC(=O)C(F)(F)F.N#CC.N#CC
• Title of publication: Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.
• Authors of publication: Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2882 - 2893
• a: 8.698 ± 0.003 Å
• b: 10.803 ± 0.003 Å
• c: 12.362 ± 0.004 Å
• α: 100.223 ± 0.003°
• β: 97.906 ± 0.004°
• γ: 103.88 ± 0.005°
• Cell volume: 1089.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No