Information card for entry 2237038

Structure parameters

• Chemical name: 4-[(<i>E</i>)-2-(Pyridin-2-yl)ethenyl]pyridine‒terephthalic acid (2/1)
• Formula: C32 H26 N4 O4
• Calculated formula: C32 H26 N4 O4
• SMILES: n1ccc(cc1)/C=C/c1ccccn1.n1ccc(cc1)/C=C/c1ccccn1.OC(=O)c1ccc(cc1)C(=O)O
• Title of publication: 4-[(<i>E</i>)-2-(Pyridin-2-yl)ethenyl]pyridine‒terephthalic acid (2/1)
• Authors of publication: Castro-Montes, Paola; Guerrero-Alvarez, Jorge A.; Hopfl, Herbert; Campos-Gaxiola, Jose J.; Cruz-Enriquez, Adriana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3383 - o3384
• a: 6.3821 ± 0.0008 Å
• b: 32.301 ± 0.004 Å
• c: 6.8721 ± 0.0008 Å
• α: 90°
• β: 111.44 ± 0.002°
• γ: 90°
• Cell volume: 1318.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes