Information card for entry 2217445

Structure parameters

• Chemical name: Bis[4-(2-hydroxybenzylamino)phenyl] ether
• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• SMILES: Oc1c(cccc1)CNc1ccc(Oc2ccc(NCc3c(O)cccc3)cc2)cc1
• Title of publication: Bis[4-(2-hydroxybenzylamino)phenyl] ether
• Authors of publication: Guo, Ya-Nan; Ge, Chun-Hua; Xiang-Dong Zhang; Zhang, Xiao-Yan; Liu, Qi-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o505 - o505
• a: 5.8241 ± 0.0005 Å
• b: 43.96 ± 0.004 Å
• c: 8.2874 ± 0.0007 Å
• α: 90°
• β: 92.287 ± 0.001°
• γ: 90°
• Cell volume: 2120.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0811
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes