Information card for entry 2239281

Structure parameters

• Chemical name: 4-<i>tert</i>-Butylpyridinium chloride‒4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)‒toluene (2/2/1)
• Formula: C31.5 H41.5 Cl N O2
• Calculated formula: C31.5 H41.5 Cl N O2
• Title of publication: 4-<i>tert</i>-Butylpyridinium chloride‒4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)‒toluene (2/2/1)
• Authors of publication: Nielson, Alastair J.; Waters, Joyce M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o413 - o414
• a: 13.5656 ± 0.0009 Å
• b: 14.3215 ± 0.0009 Å
• c: 15.787 ± 0.001 Å
• α: 90°
• β: 112.186 ± 0.001°
• γ: 90°
• Cell volume: 2840 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1025
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes