Information card for entry 7249175

Structure parameters

• Chemical name: Fluoxetine sulfate
• Formula: C34 H38 F6 N2 O6 S
• Calculated formula: C34 H38 F6 N2 O6 S
• Title of publication: Spontaneous resolution of RS-Fluoxetine through tetrafluoroborate conglomerate salt and the racemic kryptoracemate formation via sulfate one.
• Authors of publication: Carvalho Jr, Paulo; Diniz, Luan Farinelli; Fernandes, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 37.617 ± 0.003 Å
• b: 10.063 ± 0.0007 Å
• c: 10.2534 ± 0.0007 Å
• α: 90°
• β: 105.192 ± 0.003°
• γ: 90°
• Cell volume: 3745.7 ± 0.5 ų
• Cell temperature: 298 ± 0.2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2323
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No