Information card for entry 4079943

Structure parameters

• Formula: C30 H32 N4 O6 Pd2
• Calculated formula: C30 H32 N4 O6 Pd2
• SMILES: C1(C)=[O][Pd]2(c3cc(c(C)cc3Nc3cccc[n]23)OC)OC(C)=[O][Pd]2(c3cc(c(C)cc3Nc3cccc[n]23)OC)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: 12.1819 ± 0.0004 Å
• b: 32.5347 ± 0.0014 Å
• c: 15.2506 ± 0.0006 Å
• α: 90°
• β: 106.392 ± 0.002°
• γ: 90°
• Cell volume: 5798.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No