Information card for entry 2205925

Structure parameters

• Common name: 2,2':6',2'':6'',2'''-quaterpyridine
• Chemical name: 2-(6-(6-(pyridin-2-yl)pyridin-2-yl)pyridin-2-yl)pyridine
• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: c1ccc(nc1)c1cccc(n1)c1cccc(n1)c1ccccn1
• Title of publication: Dimorphism of 2,2':6',2'':6'',2'''-quaterpyridine
• Authors of publication: M. Rolland; A. van der Lee; M. Barboiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1880 - o1882
• a: 15.327 ± 0.002 Å
• b: 12.436 ± 0.002 Å
• c: 8.543 ± 0.002 Å
• α: 90°
• β: 113.5 ± 0.02°
• γ: 90°
• Cell volume: 1493.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes