Information card for entry 2234403

Structure parameters

• Chemical name: 4,4'-Bipyridine–<i>trans</i>,<i>trans</i>-hexa-2,4-dienedioic acid (1/1)
• Formula: C16 H14 N2 O4
• Calculated formula: C16 H14 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.OC(=O)/C=C/C=C/C(=O)O
• Title of publication: 4,4'-Bipyridine–<i>trans</i>,<i>trans</i>-hexa-2,4-dienedioic acid (1/1)
• Authors of publication: Moon, Suk-Hee; Park, Ki-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1201
• a: 5.8481 ± 0.0005 Å
• b: 7.6348 ± 0.0006 Å
• c: 8.4677 ± 0.0007 Å
• α: 91.837 ± 0.005°
• β: 92.584 ± 0.005°
• γ: 111.907 ± 0.004°
• Cell volume: 349.93 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes