Information card for entry 2007984

Structure parameters

• Chemical name: (-) (2S)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-piperidinylium)methyl]piperidine chloride
• Formula: C19 H27 Cl3 N2 O
• Calculated formula: C19 H27 Cl3 N2 O
• 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: 7.0585 ± 0.0006 Å
• b: 7.0673 ± 0.0004 Å
• c: 40.53 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2021.8 ± 0.2 ų
• Cell temperature: 293 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: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No