Information card for entry 2228127

Structure parameters

• Chemical name: 4,4'-Dimethoxy-2,2'-[(butane-1,4-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Formula: C20 H24 N2 O6
• Calculated formula: C20 H24 N2 O6
• SMILES: COc1ccc(c(c1)/C=N/OCCCCO/N=C/c1cc(OC)ccc1O)O
• Title of publication: 4,4'-Dimethoxy-2,2'-[(butane-1,4-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Sun, Yin-Xia; Dong, Xiu-Yan; Zhao, Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2831
• a: 4.731 ± 0.0004 Å
• b: 17.1418 ± 0.0016 Å
• c: 12.2648 ± 0.0012 Å
• α: 90°
• β: 90.981 ± 0.001°
• γ: 90°
• Cell volume: 994.5 ± 0.16 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: 0.1293
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes