Information card for entry 2018447

Structure parameters

• Common name: tetraisohexylammonium bromide
• Chemical name: tetrakis(4-methylpentyl)azanium bromide
• Formula: C24 H52 Br N
• Calculated formula: C24 H52 Br N
• Title of publication: Alkyl-chain disorder in tetraisohexylammonium bromide
• Authors of publication: Kelland, Malcolm A.; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o152 - o155
• a: 15.4995 ± 0.0002 Å
• b: 15.4995 ± 0.0002 Å
• c: 21.1346 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4397.04 ± 0.1 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1782
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9568
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes