Information card for entry 2003406

Structure parameters

• Chemical name: N-n-octyl-N,N-dimethylammonio acetic acid bromide
• Formula: C15 H32 Br N O2
• Calculated formula: C15 H31 Br N O2
• Title of publication: (Carboxymethyl)dimethylundecylammonium Bromide
• Authors of publication: Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 768 - 770
• a: 6.791 ± 0.003 Å
• b: 7.554 ± 0.004 Å
• c: 18.304 ± 0.007 Å
• α: 89.89 ± 0.05°
• β: 84.06 ± 0.04°
• γ: 81.94 ± 0.08°
• Cell volume: 924.6 ± 0.8 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No