Information card for entry 2228378

Structure parameters

• Chemical name: (<i>Z</i>)-3-Diethylamino-6-({2-[(<i>E</i>)-4-(diethylamino)-2-hydroxybenzylideneamino]-4,5-dimethylphenyl}aminomethylidene)cyclohexa-2,4-dienone‒5,5'-bis(diethylamino)-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C30 H38 N4 O2
• Calculated formula: C30 H38 N4 O2
• SMILES: CCN(C1=CC(=O)/C(=C\Nc2cc(C)c(cc2/N=C/c2ccc(cc2O)N(CC)CC)C)C=C1)CC.CCN(c1ccc(c(c1)O)/C=N/c1cc(C)c(cc1/N=C/c1ccc(cc1O)N(CC)CC)C)CC
• Title of publication: (<i>Z</i>)-3-Diethylamino-6-({2-[(<i>E</i>)-4-(diethylamino)-2-hydroxybenzylideneamino]-4,5-dimethylphenyl}aminomethylidene)cyclohexa-2,4-dienone‒5,5'-bis(diethylamino)-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3110 - o3111
• a: 11.443 ± 0.0012 Å
• b: 12.0251 ± 0.0012 Å
• c: 22.171 ± 0.002 Å
• α: 88.241 ± 0.006°
• β: 89.37 ± 0.007°
• γ: 65.207 ± 0.006°
• Cell volume: 2768.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2012
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.2746
• Weighted residual factors for all reflections included in the refinement: 0.3202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes