Information card for entry 4079941

Structure parameters

• Formula: C29 H20 N2
• Calculated formula: C29 H20 N2
• SMILES: c1(ccccn1)n1c2c(c3ccccc3)cccc2c2cccc(c12)c1ccccc1
• 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: 9.612 ± 0.0007 Å
• b: 10.2532 ± 0.0008 Å
• c: 21.4325 ± 0.0017 Å
• α: 87.865 ± 0.001°
• β: 80.978 ± 0.001°
• γ: 72.354 ± 0.001°
• Cell volume: 1987.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No