Information card for entry 2017417

Structure parameters

• Chemical name: 2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid‒4,4'-bipyridine (1/1)
• Formula: C29 H28 N2 O6
• Calculated formula: C29 H28 N2 O6
• SMILES: n1ccc(cc1)c1ccncc1.OC(=O)COc1ccc(cc1)C(c1ccc(cc1)OCC(=O)O)(C)C
• Title of publication: 1:1 Adducts of 2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine
• Authors of publication: Zheng, Ze-Bao; Zhao, Xue; Li, Ji-Kun; Han, Yin-Feng; Ji, Ning-Ning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o569 - o573
• a: 8.8698 ± 0.0015 Å
• b: 14.673 ± 0.002 Å
• c: 20.087 ± 0.003 Å
• α: 96.749 ± 0.002°
• β: 94.18 ± 0.003°
• γ: 99.751 ± 0.004°
• Cell volume: 2547.1 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1551
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes