Information card for entry 2222968

Structure parameters

• Common name: Duloxetine hydrochloride
• Chemical name: <i>N</i>-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-aminium chloride
• Formula: C18 H20 Cl N O S
• Calculated formula: C18 H20 Cl N O S
• Title of publication: Duloxetine hydrochloride
• Authors of publication: Bhadbhade, Mohan; Hook, James; Marjo, Chris; Rich, Anne; Lin, Qinghong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2294
• a: 9.7453 ± 0.001 Å
• b: 6.9227 ± 0.0007 Å
• c: 13.4247 ± 0.0016 Å
• α: 90°
• β: 109.432 ± 0.004°
• γ: 90°
• Cell volume: 854.09 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes