Information card for entry 7204235

Structure parameters

• Common name: 4'-(4-butoxyphenyl)-4,2';6',4''-terpyridine
• Formula: C25 H23 N3 O
• Calculated formula: C25 H23 N3 O
• SMILES: O(c1ccc(c2cc(nc(c2)c2ccncc2)c2ccncc2)cc1)CCCC
• Title of publication: Efficient synthesis of pyridines via a sequential solventless aldol condensation and Michael addition
• Authors of publication: Cave, Gareth W. V.; Raston, Colin L.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3258 - 3264
• a: 10.8889 ± 0.0002 Å
• b: 14.1687 ± 0.0008 Å
• c: 14.6071 ± 0.0002 Å
• α: 117.946 ± 0.001°
• β: 91.825 ± 0.001°
• γ: 96.606 ± 0.001°
• Cell volume: 1968.13 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No