Information card for entry 2217930

Structure parameters

• Chemical name: 5,5'-Bis(diethylamino)-2,2'-[butane-1,4- diyldioxybis(nitrilomethylidyne)]diphenol
• Formula: C26 H38 N4 O4
• Calculated formula: C26 H38 N4 O4
• SMILES: CCN(c1ccc(c(c1)O)/C=N/OCCCCO/N=C/c1ccc(cc1O)N(CC)CC)CC
• Title of publication: 5,5'-Bis(diethylamino)-2,2'-[butane-1,4-diyldioxybis(nitrilomethylidyne)]diphenol
• Authors of publication: Liu, Gai-Lan; Chen, Xiao; He, Xue-Ni; Dong, Wen-Kui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o659
• a: 7.6888 ± 0.0009 Å
• b: 13.777 ± 0.002 Å
• c: 12.6547 ± 0.0019 Å
• α: 90°
• β: 101.627 ± 0.002°
• γ: 90°
• Cell volume: 1313 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes