Information card for entry 7004224

Structure parameters

• Formula: C36 H25 N7
• Calculated formula: C36 H25 N7
• SMILES: c1(ncccc1)c1nc(cc(c1)N(c1ccccc1)c1cc(nc(c1)c1ncccc1)c1ncccc1)c1ncccc1
• Title of publication: Pd-catalyzed diarylation of aniline—a way to a non-linear bis(terpyridyl) ligand providing increased electronic communication
• Authors of publication: Johansson, Olof; Eriksson, Lars; Lomoth, Reiner
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3649 - 3651
• a: 30.67 ± 0.003 Å
• b: 8.4665 ± 0.0012 Å
• c: 22.428 ± 0.002 Å
• α: 90°
• β: 94.063 ± 0.012°
• γ: 90°
• Cell volume: 5809.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No