Information card for entry 4347105

Structure parameters

• Formula: C23 H32 Br4 N8 Pd2
• Calculated formula: C23 H32 Br4 N8 Pd2
• SMILES: [Pd](Br)(Br)([n]1ccccc1)=C1N(N=CN1CCCN1C=NN(C1=[Pd]([n]1ccccc1)(Br)Br)C(C)C)C(C)C
• 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: 13.2731 ± 0.0013 Å
• b: 15.1119 ± 0.0016 Å
• c: 18.186 ± 0.002 Å
• α: 76.402 ± 0.007°
• β: 72.197 ± 0.006°
• γ: 65.951 ± 0.005°
• Cell volume: 3145.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No