Information card for entry 2003502

Structure parameters

• Formula: C21 H40 Br N O
• Calculated formula: C21 H40 Br N O
• Title of publication: Bromure de Benzododécinium Monohydraté
• Authors of publication: Rodier, N.; Dugué, J.; Céolin, R.; Baziard-Mouysset, G.; Stigliani, J.-L.; Payard, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 954 - 956
• a: 8.261 ± 0.004 Å
• b: 8.847 ± 0.004 Å
• c: 17.807 ± 0.007 Å
• α: 95.19 ± 0.03°
• β: 95.14 ± 0.03°
• γ: 113.9 ± 0.04°
• Cell volume: 1173.5 ± 1 ų
• Cell temperature: 292 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: 0.068
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No