Information card for entry 2007983

Structure parameters

• Chemical name: (+) (2R)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-pyrrolidinylium)methyl]piperidine chloride monohydrate
• Formula: C18 H27 Cl3 N2 O2
• Calculated formula: C18 H27 Cl3 N2 O2
• Title of publication: Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics
• Authors of publication: Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1968 - 1970
• a: 6.8417 ± 0.0004 Å
• b: 10.2086 ± 0.0005 Å
• c: 14.6099 ± 0.0008 Å
• α: 90°
• β: 101.574 ± 0.005°
• γ: 90°
• Cell volume: 999.67 ± 0.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No