Information card for entry 2010269

Structure parameters

• Formula: C13 H22 Br N O3
• Calculated formula: C13 H22 Br N O3
• Title of publication: Two dimethylmorpholinium bromides
• Authors of publication: Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2022 - 2025
• a: 8.451 ± 0.003 Å
• b: 13.535 ± 0.002 Å
• c: 12.915 ± 0.002 Å
• α: 90°
• β: 93.38 ± 0.02°
• γ: 90°
• Cell volume: 1474.7 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No