Information card for entry 2201240
Chemical name |
ent-5α,15α-epoxy-9,10-friedo-10β,11β-dihydroxy-16,11α:19,10β-disecco-17- norkauran-16,19-dioic acid 16\ρightarrow11:19\ρightarrow10-dilactone |
Formula |
C19 H24 O5 |
Calculated formula |
C19 H24 O5 |
SMILES |
O=C1O[C@@]23CCC[C@@]1([C@@]12OC[C@@]2(CC1)[C@@]3([C@H]1OC(=O)[C@H](C1)C2)C)C |
Title of publication |
A novel diterpene lactone |
Authors of publication |
Doriguetto, Antonio C.; Vieira, Henriete S.; Ellena, Javier A.; Takahashi, Jacqueline A.; Boaventura, Maria A. D.; Mascarenhas, Yvonne P. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2002 |
Journal volume |
58 |
Journal issue |
12 |
Pages of publication |
o1392 - o1394 |
a |
6.698 ± 0.0002 Å |
b |
13.6063 ± 0.0003 Å |
c |
17.2155 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1568.93 ± 0.07 Å3 |
Cell temperature |
120 ± 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 significantly intense reflections |
0.0383 |
Weighted residual factors for all reflections included in the refinement |
0.1217 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.191 |
Diffraction radiation wavelength |
0.7107 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/2201240.html