Information card for entry 2005425

Structure parameters

• Common name: diisopropylammonium bromide
• Chemical name: diisopropylammonium bromide
• Formula: C6 H16 Br N
• Calculated formula: C6 H16 Br N
• SMILES: [Br-].[NH2+](C(C)C)C(C)C
• Title of publication: Diisopropylammonium Bromide
• Authors of publication: Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2309 - 2311
• a: 7.7989 ± 0.0004 Å
• b: 8.066 ± 0.0011 Å
• c: 7.8631 ± 0.001 Å
• α: 90°
• β: 116.336 ± 0.013°
• γ: 90°
• Cell volume: 443.3 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0436
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No