Information card for entry 2207225
Common name |
12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one |
Chemical name |
(6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1- yl)morpholin-4-yl-methanone |
Formula |
C22 H31 N O3 |
Calculated formula |
C22 H31 N O3 |
SMILES |
O=C(N1CCOCC1)[C@@]1(CCC[C@@]2([C@@H]1CCc1c2cc(OC)cc1)C)C |
Title of publication |
12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one |
Authors of publication |
Bakare, Oladapo; John, Nicole; Butcher, Ray J.; Zalkow, Leon H. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
11 |
Pages of publication |
o3791 - o3793 |
a |
14.4202 ± 0.0014 Å |
b |
7.1619 ± 0.0007 Å |
c |
18.5166 ± 0.0018 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1912.3 ± 0.3 Å3 |
Cell temperature |
93 ± 2 K |
Ambient diffraction temperature |
93 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0506 |
Residual factor for significantly intense reflections |
0.0419 |
Weighted residual factors for significantly intense reflections |
0.1057 |
Weighted residual factors for all reflections included in the refinement |
0.1111 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
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/2207225.html