Information card for entry 2207932

Structure parameters

• Chemical name: 4'-[4-(Imidazol-1-yl)phenyl]-2,2':6',2''-terpyridine
• Formula: C24 H17 N5
• Calculated formula: C24 H17 N5
• SMILES: c1cn(cn1)c1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1
• Title of publication: 4'-[4-(Imidazol-1-yl)phenyl]-2,2':6',2''-terpyridine (IPTP)
• Authors of publication: Wang, Cai Xia; Li, Lin; Yu, Wen Tao; Yang, Jia Xiang; Wu, Jie Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o246 - o248
• a: 5.4807 ± 0.0005 Å
• b: 38.653 ± 0.005 Å
• c: 8.953 ± 0.001 Å
• α: 90°
• β: 103.47 ± 0.009°
• γ: 90°
• Cell volume: 1844.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes