Information card for entry 7223124

Structure parameters

• Common name: Propranolol oxalate (2:1)
• Formula: C17 H22 N O4
• Calculated formula: C17 H22 N O4
• 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: 12.9928 ± 0.0006 Å
• b: 6.4517 ± 0.0003 Å
• c: 19.842 ± 0.0013 Å
• α: 90°
• β: 106.6 ± 0.002°
• γ: 90°
• Cell volume: 1593.95 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2767
• Residual factor for significantly intense reflections: 0.1619
• Weighted residual factors for significantly intense reflections: 0.399
• Weighted residual factors for all reflections included in the refinement: 0.4529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No