Information card for entry 2101340

Structure parameters

• Formula: C22 H26 Cl N O5
• Calculated formula: C22 H26 Cl N O5
• Title of publication: Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents
• Authors of publication: Sui, X.; Codding, P. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 803 - 810
• a: 15.684 ± 0.002 Å
• b: 6.4228 ± 0.0007 Å
• c: 22.249 ± 0.002 Å
• α: 90°
• β: 109.656 ± 0.009°
• γ: 90°
• Cell volume: 2110.7 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.0408
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No