Information card for entry 2006132

Structure parameters

• Chemical name: cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate
• Formula: C27 H35 Cl F N3 O10
• Calculated formula: C27 H35 Cl F N3 O10
• Title of publication: Absolute Configuration of the Double Salt of <i>cis</i>-4-Amino-5-chloro-<i>N</i>-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)
• Authors of publication: Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 597 - 599
• a: 8.7641 ± 0.0004 Å
• b: 26.785 ± 0.002 Å
• c: 12.5316 ± 0.0007 Å
• α: 90°
• β: 104.412 ± 0.004°
• γ: 90°
• Cell volume: 2849.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.1092
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No