Information card for entry 2004625

Structure parameters

• Chemical name: N-n-Butyl-N,N-dimethylammonio Acetic Acid Bromide
• Formula: C8 H18 Br N O2
• Calculated formula: C8 H18 Br N O2
• Title of publication: <i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide
• Authors of publication: Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 648 - 652
• a: 11.11 ± 0.007 Å
• b: 13.428 ± 0.005 Å
• c: 15.038 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2243.4 ± 1.8 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 2.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No