Information card for entry 2239410

Structure parameters

• Chemical name: 2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol
• Formula: C29 H28 N2 O3
• Calculated formula: C29 H28 N2 O3
• SMILES: CCOc1ccc(cc1)N(c1ccc(cc1)OCC)c1ccc(cc1)/N=C/c1ccccc1O
• Title of publication: 2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol
• Authors of publication: Gao, Bing-Fei; Jin, Zhe-Peng; Chen, Jiang; Tian, Yu-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o313
• a: 9.765 ± 0.003 Å
• b: 13.113 ± 0.004 Å
• c: 19.378 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes