Information card for entry 2005287

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl- 1-piperidinebutanamide-N-oxide
• Formula: C29 H37.5 Cl N2 O5.25
• Calculated formula: C29 H39 Cl N2 O7
• Title of publication: 4-(4-Chlorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethyl-α,α-diphenyl-1-piperidinebutanamide <i>N</i>-Oxide Hydrate (Loperamide <i>N</i>-Oxide Hydrate)
• Authors of publication: Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2100 - 2102
• a: 17.0543 ± 0.0007 Å
• b: 9.6959 ± 0.0006 Å
• c: 35.025 ± 0.002 Å
• α: 90°
• β: 96.813 ± 0.004°
• γ: 90°
• Cell volume: 5750.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.1403
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No