Information card for entry 2236236

Structure parameters

• Chemical name: <i>rac</i>-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol
• Formula: C23 H32 Cl2 N2 O2
• Calculated formula: C23 H32 Cl2 N2 O2
• Title of publication: <i>rac</i>-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol
• Authors of publication: Rivera, Augusto; Pacheco, Dency José; Ríos-Motta, Jaime; Maldonado, Mauricio; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2997
• a: 9.5011 ± 0.0008 Å
• b: 11.906 ± 0.0013 Å
• c: 9.9824 ± 0.0009 Å
• α: 90°
• β: 90.348 ± 0.007°
• γ: 90°
• Cell volume: 1129.19 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes