Information card for entry 2227824

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-[(cyclohexane-1,2-diyl)bis(nitrilomethylidyne)]diphenol
• Formula: C22 H26 N2 O4
• Calculated formula: C22 H26 N2 O4
• SMILES: COc1cccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cccc(c2O)OC)c1O.COc1cccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cccc(c2O)OC)c1O
• Title of publication: 6,6'-Dimethoxy-2,2'-[(cyclohexane-1,2-diyl)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Zhang, Qian; Yan, Peng-Fei; Li, Guang-Ming; Chen, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2450
• a: 15.014 ± 0.003 Å
• b: 12.029 ± 0.002 Å
• c: 12.099 ± 0.002 Å
• α: 90°
• β: 107.54 ± 0.03°
• γ: 90°
• Cell volume: 2083.5 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1591
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes