Information card for entry 7223123

Structure parameters

• Common name: Propranolol oxalate methanol solvate (2:1:1)
• Formula: C34.9 H47.6 N2 O8.9
• Calculated formula: C34.9 H47.6 N2 O8.9
• 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: 10.7741 ± 0.0002 Å
• b: 11.3507 ± 0.0002 Å
• c: 28.2413 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3453.73 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.2359
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No