Information card for entry 2221933

Structure parameters

• Common name: Darifenacin hydrobromide
• Chemical name: (<i>S</i>)-3-[(aminocarbonyl)diphenylmethyl]-1-[2-(2,3-dihydrobenzofuran-5- yl)ethyl]pyrrolidinium bromide
• Formula: C28 H31 Br N2 O2
• Calculated formula: C28 H31 Br N2 O2
• Title of publication: Darifenacin hydrobromide
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Ravikumar, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1286
• a: 10.2632 ± 0.0007 Å
• b: 10.9525 ± 0.0008 Å
• c: 21.7459 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2444.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes