Information card for entry 2003401

Structure parameters

• Chemical name: N-n-octyl-N,N-dimethylammonio acetic acid bromide
• Formula: C12 H26 Br N O2
• Calculated formula: C12 H26 Br N O2
• Title of publication: (Carboxymethyl)dimethyloctylammonium 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: 766 - 768
• a: 6.771 ± 0.004 Å
• b: 7.516 ± 0.002 Å
• c: 15.765 ± 0.004 Å
• α: 85.19 ± 0.02°
• β: 80 ± 0.02°
• γ: 79.52 ± 0.04°
• Cell volume: 775.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.039
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.604
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No