Information card for entry 2222081
Chemical name |
Methyl <i>trans</i>-(±)-1-oxo-2-phenethyl-3-(thiophen-2-yl)-1,2,3,4- tetrahydroisoquinoline-4-carboxylate |
Formula |
C23 H21 N O3 S |
Calculated formula |
C23 H21 N O3 S |
Title of publication |
Methyl <i>trans</i>-(±)-1-oxo-2-phenethyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate |
Authors of publication |
Akkurt, Mehmet; Karaca, Selvi; Bogdanov, Milen G.; Kandinska, Meglena I.; Büyükgüngör, Orhan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
o1287 - o1288 |
a |
8.8841 ± 0.0003 Å |
b |
30.7095 ± 0.0013 Å |
c |
7.5757 ± 0.0003 Å |
α |
90° |
β |
105.472 ± 0.003° |
γ |
90° |
Cell volume |
1991.95 ± 0.14 Å3 |
Cell temperature |
296 K |
Ambient diffraction temperature |
296 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0616 |
Residual factor for significantly intense reflections |
0.0479 |
Weighted residual factors for significantly intense reflections |
0.1286 |
Weighted residual factors for all reflections included in the refinement |
0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2222081.html