Information card for entry 2230289

Structure parameters

• Common name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxy-5- methylbenzyl)ethane-1,2-diamine dimethylformamide disolvate
• Chemical name: 2-{[(2-{bis[(2-hydroxy-5-methylphenyl)methyl]amino}ethyl)[(2-hydroxy-5- methylphenyl)methyl]amino]methyl}-4-methylphenol dimethylformamide disolvate
• Formula: C40 H54 N4 O6
• Calculated formula: C40 H54 N4 O6
• SMILES: Oc1ccc(cc1CN(Cc1cc(C)ccc1O)CCN(Cc1cc(C)ccc1O)Cc1cc(C)ccc1O)C.O=CN(C)C.O=CN(C)C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxy-5-methylbenzyl)ethane-1,2-diamine dimethylformamide disolvate
• Authors of publication: Wang, Nuan-Sheng; Wang, Yong-Tao; Guo, Xiu-Kai; Li, Tian-Duo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1438
• a: 11.574 ± 0.002 Å
• b: 6.3557 ± 0.0012 Å
• c: 26.343 ± 0.005 Å
• α: 90°
• β: 94.939 ± 0.003°
• γ: 90°
• Cell volume: 1930.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes