Information card for entry 2006530

Structure parameters

• Chemical name: (-)(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro [3a,3,2-ef] [2]benzazepin-6-ol hydrobromide
• Formula: C17 H22 Br N O3
• Calculated formula: C17 H22 Br N O3
• Title of publication: ({-})-Galanthaminium Bromide
• Authors of publication: Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1284 - 1286
• a: 7.3706 ± 0.0003 Å
• b: 14.3273 ± 0.0007 Å
• c: 15.9318 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1682.41 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No