Information card for entry 2239551

Structure parameters

• Common name: Diaminebis(phenolate)
• Chemical name: 2,4-Di-<i>tert</i>-butyl-6-({[2-(dimethylamino)ethyl](2-hydroxybenzyl)amino}methyl)phenol
• Formula: C26 H40 N2 O2
• Calculated formula: C26 H40 N2 O2
• SMILES: CN(CCN(Cc1ccccc1O)Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C
• Title of publication: 2,4-Di-<i>tert</i>-butyl-6-({[2-(dimethylamino)ethyl](2-hydroxybenzyl)amino}methyl)phenol
• Authors of publication: Spaleniak, Grzegorz P.; Bisz, Elwira; Białek, Marzena; Zarychta, Bartosz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o678
• a: 12.3002 ± 0.0007 Å
• b: 13.3758 ± 0.0007 Å
• c: 15.5662 ± 0.0009 Å
• α: 90°
• β: 96.377 ± 0.005°
• γ: 90°
• Cell volume: 2545.2 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.107
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes