Information card for entry 2216797
Common name |
Guidongnin A |
Chemical name |
(3aR,4R,4'aS,5'R,7'S,7aR,9'R,9'aS)-5',9'-dihydroxy-7a-methyl-8'- methyleneperhydrospiro[isobenzofuran-4(1H),4'(3'H)- [1H-7,9a]methanocyclohepta[c]pyran]-1',3(3aH)-dione |
Formula |
C20 H26 O6 |
Calculated formula |
C20 H26 O6 |
SMILES |
O1C[C@@]2(CCC[C@]3(COC(=O)[C@]45[C@H](O)C(=C)[C@H](C[C@@H](O)[C@@H]34)C5)[C@@H]2C1=O)C |
Title of publication |
Guidongnin A, a natural diterpenoid |
Authors of publication |
Shi, Hao |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
12 |
Pages of publication |
o4890 - o4890 |
a |
12.2614 ± 0.0015 Å |
b |
15.6668 ± 0.0018 Å |
c |
18.697 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3591.6 ± 0.7 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 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 |
0.1301 |
Residual factor for significantly intense reflections |
0.0776 |
Weighted residual factors for significantly intense reflections |
0.2127 |
Weighted residual factors for all reflections included in the refinement |
0.2368 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.099 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2216797.html