Information card for entry 2221708

Structure parameters

• Chemical name: 5,5'-Dimethoxy-2,2'-[(pentane-1,5-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Formula: C21 H26 N2 O6
• Calculated formula: C21 H26 N2 O6
• SMILES: N(=C\c1c(O)cc(OC)cc1)/OCCCCCO/N=C/c1c(O)cc(OC)cc1
• Title of publication: 5,5'-Dimethoxy-2,2'-[(pentane-1,5-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Sun, Yin-Xia; Li, Li; Dong, Wen-Kui; Wu, Jian-Chao; Tong, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1160
• a: 7.3324 ± 0.0015 Å
• b: 7.6214 ± 0.0017 Å
• c: 20.372 ± 0.003 Å
• α: 81.525 ± 0.001°
• β: 89.928 ± 0.002°
• γ: 67.87 ± 0.001°
• Cell volume: 1041.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes