Information card for entry 1503274
Common name |
Psiguadials A |
Formula |
C30 H34 O5 |
Calculated formula |
C30 H34 O5 |
SMILES |
O1[C@]23CC[C@]([C@H]2[C@H]2[C@@H](CC[C@@H]3C)C2(C)C)(C)[C@H](c2c1c(c(O)c(c2O)C=O)C=O)c1ccccc1 |
Title of publication |
Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava. |
Authors of publication |
Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai |
Journal of publication |
Organic letters |
Year of publication |
2010 |
Journal volume |
12 |
Journal issue |
21 |
Pages of publication |
5040 - 5043 |
a |
11.1759 ± 0.0002 Å |
b |
13.5506 ± 0.0002 Å |
c |
15.9913 ± 0.0002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2421.72 ± 0.06 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 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 |
0.0427 |
Residual factor for significantly intense reflections |
0.0405 |
Weighted residual factors for significantly intense reflections |
0.1124 |
Weighted residual factors for all reflections included in the refinement |
0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.086 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1503274.html