Information card for entry 1573367

Structure parameters

• Chemical name: 4'-(2-Methoxyphenyl)-2,2':6',2''-terpyridine
• Formula: C22 H17 N3 O
• Calculated formula: C22 H17 N3 O
• SMILES: O(C)c1c(c2cc(nc(c3ncccc3)c2)c2ncccc2)cccc1
• Title of publication: 4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine
• Authors of publication: Njogu, Eric M.; Juma, David O.; Zamisa, Sizwe J.; Omondi, Bernard; Nyamori, Vincent O.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 11
• Pages of publication: x241143
• a: 7.7366 ± 0.0003 Å
• b: 29.5787 ± 0.001 Å
• c: 7.3852 ± 0.0003 Å
• α: 90°
• β: 91.962 ± 0.002°
• γ: 90°
• Cell volume: 1689.03 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No