Information card for entry 2211450

Structure parameters

• Chemical name: (E,E)-6,6'-Dimethoxy-2,2'-[o-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: Liu, Y.-F.; Xia, H.-T.; Yang, S.-P.; Wang, D.-Q.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5908 - o5909
• a: 6.638 ± 0.002 Å
• b: 16.838 ± 0.003 Å
• c: 17.137 ± 0.003 Å
• α: 90°
• β: 97.861 ± 0.003°
• γ: 90°
• Cell volume: 1897.4 ± 0.7 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: 0.1477
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes