Information card for entry 2221271

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-6,6'-Dimethoxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: N(=C\c1c(O)c(OC)ccc1)/c1c(/N=C/c2c(O)c(OC)ccc2)cccc1
• Title of publication: (<i>E</i>,<i>E</i>)-6,6'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Wang, Yong; Li, Hong-Gang; Yin, Handong; Wei, Guo-Dong; Wang, Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o754
• a: 6.5863 ± 0.0008 Å
• b: 16.726 ± 0.002 Å
• c: 17.023 ± 0.003 Å
• α: 90°
• β: 97.926 ± 0.002°
• γ: 90°
• Cell volume: 1857.4 ± 0.5 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: 0.1612
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes