Information card for entry 2001185

Structure parameters

• Formula: C16 H25.44 Br N3 O1.72
• Calculated formula: C16 H25.44 Br N3 O1.72
• Title of publication: Structure of <i>N</i>^1^-(3-phenoxypropyl)-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane bromide hydrate
• Authors of publication: Farrugia, L. J.; Lovatt, P. A.; Peacock, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2164 - 2165
• a: 8.431 ± 0.001 Å
• b: 20.452 ± 0.003 Å
• c: 10.615 ± 0.003 Å
• α: 90°
• β: 111.42 ± 0.01°
• γ: 90°
• Cell volume: 1703.9 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.33
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No