Information card for entry 2214842

Structure parameters

• Chemical name: 4'-Phenyl-2,2':6',2''-terpyridine 1,1''-dioxide
• Formula: C21 H15 N3 O2
• Calculated formula: C21 H15 N3 O2
• SMILES: c1cccc(c2cc(c3ccccc3)cc(n2)c2ccccn2=O)n1=O
• Title of publication: 4'-Phenyl-2,2':6',2''-terpyridine 1,1''-dioxide
• Authors of publication: G. M. Golzar Hossain; Afroza Banu; A. J. Amoroso
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3607 - o3607
• a: 19.1173 ± 0.0008 Å
• b: 10.9251 ± 0.0005 Å
• c: 7.7581 ± 0.0003 Å
• α: 90°
• β: 93.416 ± 0.002°
• γ: 90°
• Cell volume: 1617.47 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes