Information card for entry 2019239

Structure parameters

• Common name: Carbamazepine-trifluoroacetic acid (1/1)
• Chemical name: Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)
• Formula: C17 H13 F3 N2 O3
• Calculated formula: C17 H13 F3 N2 O3
• Title of publication: Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine
• Authors of publication: Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1260 - 1266
• a: 14.9968 ± 0.0012 Å
• b: 5.266 ± 0.0003 Å
• c: 20.1911 ± 0.0012 Å
• α: 90°
• β: 102.191 ± 0.007°
• γ: 90°
• Cell volume: 1558.6 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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 all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No