Information card for entry 7217079

Structure parameters

• Formula: C29 H35 N3 O4
• Calculated formula: C29 H35 N3 O4
• SMILES: c1cc(C(=O)N(CC)c2ccccc2OCCC)nc(c1)C(=O)N(CC)c1ccccc1OCCC
• 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: 14.033 ± 0.003 Å
• b: 38.45 ± 0.008 Å
• c: 10.289 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5552 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No