Information card for entry 2009652

Structure parameters

• Chemical name: N-Butyl-N,N-dimethyl-3-(1.1.3.3.5.5.5.-heptamethyltrisiloxan-1-yl) propylammonium bromide
• Formula: C16 H42 Br N O2 Si3
• Calculated formula: C16 H42 Br N O2 Si3
• Title of publication: Butyl[3-(1,1,3,3,5,5,5-heptamethyltrisiloxan-1-yl)propyl]dimethylammonium bromide, C~16~H~42~NO~2~Si~3~^+^.Br^{-^}, at 173 and 301 K
• Authors of publication: Rudert, Rainer; Schmaucks, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 631 - 635
• a: 22.723 ± 0.007 Å
• b: 8.908 ± 0.003 Å
• c: 13.2 ± 0.02 Å
• α: 90°
• β: 104.34 ± 0.06°
• γ: 90°
• Cell volume: 2589 ± 4 ų
• Cell temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.49
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for significantly intense reflections: 2
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No