Crystal and molecular structure of (exo)-2-phenyl-5-ethoxycarbonyl-4,5,6,11b-tetrahydroisoxazolidino-[2,3-a]-β-carboline,C22H22N2O3 |
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Authors: | J M M Smits P T Beurskens R Plate H C J Ottenheijm |
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Institution: | (1) Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands;(2) Department of Organic Chemistry, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands |
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Abstract: | The structure of the title compound, C22H22N2O3, was determined by X-rays atT=290 K.M
r
=362.427, orthorombic, space groupPbca,a=11.666(4),b=15.691(1),c=20.931(1) Å,V=3831.4 Å3,Z=8,D
x
=1.257 Mgm–3. CuK radiation (graphite crystal monochromator, =1.54178 Å),(CuK)=6.42 cm–1. Final conventionalR-factor=0.050,R
w
=0.062 for 2552 observed reflections and 301 variables. The structure was solved usingMultan. |
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Keywords: | |
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