Information card for entry 7220750

Structure parameters

• Formula: C25 H17 N
• Calculated formula: C25 H17 N
• SMILES: c12ccccc1cccc2c1cccc(c2cccc3ccccc23)n1
• Title of publication: Selective Palladium-Catalysed Arylation of 2,6-Dibromopyridine Using N-Heterocyclic Carbene Ligands
• Authors of publication: Kapdi, Dr. Anant; Prajapati, Dharmendra; Schulzke, Carola; Kindermann, Markus Karl
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.4697 ± 0.0013 Å
• b: 11.008 ± 0.002 Å
• c: 25.007 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No