Information card for entry 2209688

Structure parameters

• Chemical name: 2,6-Di-tert-butyl-4-{[N-(4,6-dichloro-1,3,5-triazin-2- yl)propylamino]methyl}phenol
• Formula: C21 H30 Cl2 N4 O
• Calculated formula: C21 H30 Cl2 N4 O
• SMILES: CCCN(c1nc(Cl)nc(n1)Cl)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• Title of publication: 2,6-Di-<i>tert</i>-butyl-4-{[<i>N</i>-(4,6-dichloro-1,3,5-triazin-2-yl)propylamino]methyl}phenol
• Authors of publication: Tao, Zeng; Li-Gong Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2916 - o2917
• a: 9.9134 ± 0.0017 Å
• b: 19.373 ± 0.003 Å
• c: 12.378 ± 0.002 Å
• α: 90°
• β: 98.037 ± 0.003°
• γ: 90°
• Cell volume: 2353.9 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes