Information card for entry 7217080

Structure parameters

• Formula: C25 H27 N3 O4
• Calculated formula: C25 H27 N3 O4
• SMILES: O(CCC)c1ccccc1NC(=O)c1nc(ccc1)C(=O)Nc1ccccc1OCCC
• Title of publication: An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization
• Authors of publication: Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 56
• Pages of publication: 29702
• a: 15.0617 ± 0.0007 Å
• b: 8.8547 ± 0.0006 Å
• c: 17.7386 ± 0.001 Å
• α: 90°
• β: 97.11 ± 0.004°
• γ: 90°
• Cell volume: 2347.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1052
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No