Information card for entry 4079942

Structure parameters

• Formula: C38 H28 N4 O4 Pd2
• Calculated formula: C38 H28 N4 O4 Pd2
• SMILES: c12cccc3c1n(c1c3cccc1)c1cccc[n]1[Pd]132[O]=C(C)O[Pd]23(c3cccc4c3n(c3c4cccc3)c3cccc[n]23)[O]=C(C)O1
• Title of publication: Direct Ortho Arylation of 9-(Pyridin-2-yl)-9H-carbazoles Bearing a Removable Directing Group via Palladium(II)-Catalyzed C‒H Bond Activation
• Authors of publication: Chu, Jean-Ho; Wu, Chung-Chiu; Chang, Deng-Hsiang; Lee, Ya-Ming; Wu, Ming-Jung
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 272
• a: 36.7884 ± 0.0012 Å
• b: 36.7884 ± 0.0012 Å
• c: 13.101 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15355.2 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No