Information card for entry 7249177

Structure parameters

• Chemical name: (S)-Fluoxetine tetrafluoroborate
• Formula: C17 H19 B F7 N O
• Calculated formula: C17 H19 B F7 N O
• Title of publication: Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion
• Authors of publication: Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 36
• Pages of publication: 4975 - 4984
• a: 6.08 ± 0.0019 Å
• b: 10.89 ± 0.0016 Å
• c: 27.6 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1827.4 ± 0.7 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.670185 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No