Information card for entry 2227735

Structure parameters

• Chemical name: 2-Hydroxy-3-octyloxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium bromide
• Formula: C14 H32 Br N O2
• Calculated formula: C14 H32 Br N O2
• Title of publication: 2-Hydroxy-3-octyloxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium bromide
• Authors of publication: Liu, Jiuqiang; Wei, Zengbin; Wei, Xilian; Zhang, Chong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2865
• a: 5.9713 ± 0.0011 Å
• b: 7.478 ± 0.0012 Å
• c: 19.992 ± 0.002 Å
• α: 90°
• β: 92.923 ± 0.001°
• γ: 90°
• Cell volume: 891.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1837
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes