Information card for entry 2224672

Structure parameters

• Chemical name: 2,2'-[Octane-1,8-diyldioxybis(nitrilomethylidyne)]diphenol
• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• SMILES: Oc1ccccc1/C=N/OCCCCCCCCO/N=C/c1ccccc1O
• Title of publication: 2,2'-[Octane-1,8-diyldioxybis(nitrilomethylidyne)]diphenol
• Authors of publication: Li, Xiao-Jun; Tong, Jun-Feng; Gong, Shang-Sheng; Wu, Jian-Chao; Xu, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o238
• a: 10.5003 ± 0.0012 Å
• b: 5.3607 ± 0.0008 Å
• c: 18.612 ± 0.002 Å
• α: 90°
• β: 92.909 ± 0.001°
• γ: 90°
• Cell volume: 1046.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0857
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes