Information card for entry 2220921
Common name |
Preaustinoid A |
Chemical name |
methyl 15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylene-7,14,16- trioxotetracyclo[11.3.1.0^2,11^.0^5,10^]heptadecane-1-carboxylate |
Formula |
C26 H36 O6 |
Calculated formula |
C26 H36 O6 |
SMILES |
[C@@]12([C@@]3(CC[C@H]4C(C(=O)CC[C@@]4([C@H]3C[C@](C(=O)[C@@](C1=O)(C)O)(C2=C)C)C)(C)C)C)C(=O)OC |
Title of publication |
Preaustinoid A: a meroterpene produced by <i>Penicillium sp</i>. |
Authors of publication |
Maganhi, Stella H.; Fill, Taicia Pacheco; Rodrigues-Fo, Edson; Caracelli, Ignez; Zukerman-Schpector, Julio |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
2 |
Pages of publication |
o221 |
a |
8.5023 ± 0.0002 Å |
b |
13.5405 ± 0.0002 Å |
c |
19.7127 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2269.43 ± 0.08 Å3 |
Cell temperature |
290 ± 2 K |
Ambient diffraction temperature |
290 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0407 |
Residual factor for significantly intense reflections |
0.036 |
Weighted residual factors for significantly intense reflections |
0.09 |
Weighted residual factors for all reflections included in the refinement |
0.093 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
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/2220921.html