Information card for entry 2209291
Common name |
ophiobolin A |
Chemical name |
(2'S,3'S,3aR,5'R,6aS,9R,9aS,10aR)-1,3a,4,4',5',6a,7,8,9,9a,10,10a- dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methylpropen-1-yl)-7- oxospiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carbaldehyde |
Formula |
C25 H36 O4 |
Calculated formula |
C25 H36 O4 |
SMILES |
O[C@]1([C@H]2C[C@@]3([C@@H](CC=C([C@H]2C(=O)C1)C=O)[C@]1(O[C@H](C[C@@H]1C)C=C(C)C)CC3)C)C |
Title of publication |
Ophiobolin A |
Authors of publication |
Anna Andolfi; Antonio Evidente; Antonello Santini; Angela Tuzi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
6 |
Pages of publication |
o2195 - o2197 |
a |
7.251 ± 0.004 Å |
b |
14.756 ± 0.009 Å |
c |
20.55 ± 0.02 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2199 ± 3 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 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 |
0.1198 |
Residual factor for significantly intense reflections |
0.0538 |
Weighted residual factors for significantly intense reflections |
0.0916 |
Weighted residual factors for all reflections included in the refinement |
0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
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/2209291.html