Information card for entry 2219376

Structure parameters

• Chemical name: 4,4'-Dimethoxy-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethylidyne]diphenol
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: COc1ccc(c(c1)/C(=N/CCC/N=C(/c1cc(OC)ccc1O)C)C)O
• Title of publication: 4,4'-Dimethoxy-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethylidyne]diphenol
• Authors of publication: Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1657 - o1658
• a: 12.8042 ± 0.0002 Å
• b: 5.0508 ± 0.0001 Å
• c: 28.6019 ± 0.0006 Å
• α: 90°
• β: 93.109 ± 0.002°
• γ: 90°
• Cell volume: 1847 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes