Information card for entry 2234827

Structure parameters

• Chemical name: 2-[1-({2-[1-(2-Hydroxy-5- {[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]- 4-{[methyl(phenyl)amino]methyl}phenol
• Formula: C34 H38 N4 O2
• Calculated formula: C34 H38 N4 O2
• SMILES: CN(c1ccccc1)Cc1ccc(c(c1)/C(=N/CC/N=C(/c1cc(ccc1O)CN(c1ccccc1)C)C)C)O
• Title of publication: 2-[1-({2-[1-(2-Hydroxy-5-{[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]-4-{[methyl(phenyl)amino]methyl}phenol
• Authors of publication: Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1562
• a: 7.46 ± 0.001 Å
• b: 12.35 ± 0.001 Å
• c: 31.176 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2872.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2161
• 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