Information card for entry 2219579

Structure parameters

• Chemical name: 6,6'-Dihydroxy-2,2'-[(butane-1,4-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Formula: C18 H20 N2 O6
• Calculated formula: C18 H20 N2 O6
• SMILES: Oc1c(cccc1O)/C=N/OCCCCO/N=C/c1cccc(c1O)O
• Title of publication: 6,6'-Dihydroxy-2,2'-[(butane-1,4-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Dong, Wen-Kui; He, Xue-Ni; Sun, Yin-Xia; Xu, Li; Guan, Yong-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1917
• a: 27.484 ± 0.003 Å
• b: 4.7106 ± 0.0007 Å
• c: 14.0081 ± 0.0019 Å
• α: 90°
• β: 104.306 ± 0.002°
• γ: 90°
• Cell volume: 1757.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes