Information card for entry 8102132

Structure parameters

• Chemical name: 4,4'-bipyridine ethylene–di(4-oxybenzoic acid)
• Formula: C26 H22 N2 O6
• Calculated formula: C26 H22 N2 O6
• SMILES: n1ccc(cc1)c1ccncc1.O(c1ccc(cc1)C(=O)O)CCOc1ccc(cc1)C(=O)O
• Title of publication: Crystal structure of ethylene-4,4'-di(oxybenzoic acid)-4,4'-bipyridine (1:1), C~16~H~14~O~6~ · C~10~H~8~N~2~
• Authors of publication: Qi, Guang-Cai; Tang, Long; Li, Dong-Sheng; Fu, Feng; Wang, Ji-Jiang; Guo, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 237 - 238
• a: 6.8088 ± 0.001 Å
• b: 11.987 ± 0.0018 Å
• c: 14.349 ± 0.002 Å
• α: 87.88 ± 0.003°
• β: 80.469 ± 0.002°
• γ: 76.185 ± 0.002°
• Cell volume: 1121.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1786
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No