Information card for entry 2229812

Structure parameters

• Chemical name: 2,2',2'',2'''-[Pyridine-2,6-diylbis(methylenenitrilo)]tetraethanol
• Formula: C15 H27 N3 O4
• Calculated formula: C15 H27 N3 O4
• SMILES: OCCN(Cc1cccc(n1)CN(CCO)CCO)CCO
• Title of publication: 2,2',2'',2'''-[Pyridine-2,6-diylbis(methylenenitrilo)]tetraethanol
• Authors of publication: Cao, Shou-Ying; Zhou, Cheng-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o1003
• a: 9.145 ± 0.006 Å
• b: 10.716 ± 0.007 Å
• c: 8.292 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 812.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes