Information card for entry 7232538

Structure parameters

• Common name: PRX-FUM
• Chemical name: Paroxetine fumarate
• Formula: C23 H24 F N O7
• Calculated formula: C23 H24 F N O7
• Title of publication: Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms
• Authors of publication: Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 3668
• a: 7.2223 ± 0.0003 Å
• b: 7.995 ± 0.001 Å
• c: 18.538 ± 0.002 Å
• α: 78.672 ± 0.01°
• β: 82.396 ± 0.005°
• γ: 85.86 ± 0.007°
• Cell volume: 1039.17 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No