Information card for entry 2008292

Structure parameters

• Chemical name: 5-ethoxycarbonylmethyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a] quinolizin-5-ium trifluoromethanesulfonate
• Formula: C22 H27 F3 N2 O5 S
• Calculated formula: C22 H27 F3 N2 O5 S
• Title of publication: Crystallographic evidence of the formation of an <i>N</i>-alkylated enammonium salt: 5-ethoxycarbonylmethyl-1-ethyl-2,3,6,7-tetrahydro-4<i>H</i>,12<i>H</i>-indolo[2,3-<i>a</i>]quinolizin-5-ium trifluoromethanesulfonate
• Authors of publication: Bombicz, Petra; Kálmán, Alajos
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 454 - 455
• a: 14.91 ± 0.002 Å
• b: 10.299 ± 0.001 Å
• c: 15.184 ± 0.001 Å
• α: 90 ± 0.01°
• β: 92.93 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2328.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No