Information card for entry 2217735

Structure parameters

• Chemical name: Benzylethyldimethylammonium bromide
• Formula: C11 H18 Br N
• Calculated formula: C11 H18 Br N
• SMILES: [Br-].[N+](C)(C)(CC)Cc1ccccc1
• Title of publication: Benzylethyldimethylammonium bromide
• Authors of publication: Hodorowicz, Maciej; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o601
• a: 6.7765 ± 0.0001 Å
• b: 12.5827 ± 0.0002 Å
• c: 13.9433 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1188.9 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes