Information card for entry 7223119

Structure parameters

• Common name: Propranolol fumarate (1:1)
• Formula: C20 H25 N O6
• Calculated formula: C20 H25 N O6
• Title of publication: Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties
• Authors of publication: Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 47
• Pages of publication: 9023
• a: 8.6157 ± 0.0002 Å
• b: 9.9155 ± 0.0002 Å
• c: 13.1345 ± 0.0004 Å
• α: 97.391 ± 0.001°
• β: 102.24 ± 0.001°
• γ: 109.899 ± 0.001°
• Cell volume: 1006.17 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No