Information card for entry 2227697

Structure parameters

• Chemical name: 5,5'-Bis(diethylamino)-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Formula: C27 H40 N4 O2
• Calculated formula: C27 H40 N4 O2
• SMILES: CCN(c1ccc(c(c1)O)/C=N/CC(C/N=C/c1ccc(cc1O)N(CC)CC)(C)C)CC
• Title of publication: 5,5'-Bis(diethylamino)-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz; Kianoosh, Fatemeh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2296
• a: 10.1143 ± 0.0005 Å
• b: 11.4004 ± 0.001 Å
• c: 13.8505 ± 0.0006 Å
• α: 107.572 ± 0.003°
• β: 110.771 ± 0.002°
• γ: 96.628 ± 0.003°
• Cell volume: 1378.52 ± 0.16 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: 0.1018
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes