Information card for entry 2201422

Structure parameters

• Chemical name: (+)-(3S,4R)-cis-4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-1-ium-4-yl) benzamide hydrogen (2R,3R)-dihydroxybutanedioate monohydrate
• Formula: C18 H28 Cl N3 O10
• Calculated formula: C18 H28 Cl N3 O10
• Title of publication: (+)-(3<i>S</i>,4<i>R</i>)-Norcisapride hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate
• Authors of publication: Peeters, Oswald M.; Blaton, Norbert M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1169 - o1171
• a: 7.6086 ± 0.0004 Å
• b: 10.664 ± 0.001 Å
• c: 14.0482 ± 0.0006 Å
• α: 90°
• β: 93.98 ± 0.006°
• γ: 90°
• Cell volume: 1137.1 ± 0.13 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: 0.0381
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No