Information card for entry 2006618
Formula |
C22 H33 N O3 |
Calculated formula |
C22 H33 N O3 |
SMILES |
O1CCN([C@@H]([C@@H]2[C@@H](CC[C@@H](C2=O)C(C)C)C)c2cc(OC)ccc2)CC1 |
Title of publication |
(1<i>R</i>,2<i>S</i>,4<i>S</i>,11<i>S</i>)-4-Isopropyl-1-methyl-2-(α-<i>N</i>-morpholino-3-methoxybenzyl)cyclohexan-3-one |
Authors of publication |
Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1997 |
Journal volume |
53 |
Journal issue |
10 |
Pages of publication |
1466 - 1468 |
a |
8.493 ± 0.001 Å |
b |
11.253 ± 0.002 Å |
c |
11.368 ± 0.002 Å |
α |
90° |
β |
108.46 ± 0.02° |
γ |
90° |
Cell volume |
1030.6 ± 0.3 Å3 |
Cell temperature |
153 ± 2 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0367 |
Residual factor for significantly intense reflections |
0.0305 |
Weighted residual factors for all reflections |
0.0704 |
Weighted residual factors for significantly intense reflections |
0.0686 |
Goodness-of-fit parameter for significantly intense reflections |
0.943 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/2006618.html