Information card for entry 2015180

Structure parameters

• Chemical name: (±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate dihydrate
• Formula: C32 H43 N O6
• Calculated formula: C32 H43 N O6
• Title of publication: The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug
• Authors of publication: Limor Tessler; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o707 - o710
• a: 23.818 ± 0.0009 Å
• b: 9.8444 ± 0.0003 Å
• c: 12.3959 ± 0.0004 Å
• α: 90°
• β: 93.177 ± 0.0012°
• γ: 90°
• Cell volume: 2902.05 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1738
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes