Crystallography Open Database

Information card for entry 7157711

Preview

Coordinates	7157711.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione
Formula	C18 H24 O3
Calculated formula	C18 H24 O3
SMILES	O=C1CC[C@@]2([C@@H](C1(C)C)CC[C@@]1(O)C2=CC(=O)C(=C1)C)C
Title of publication	Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.
Authors of publication	Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	39
Pages of publication	7892 - 7898
a	7.0307 ± 0.001 Å
b	8.666 ± 0.001 Å
c	25.171 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1533.6 ± 0.4 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	0.1349
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258958 (current)	2020-11-06	cif/ Updating files of 7157710, 7157711, 7157712 Original log message: Adding full bibliography for 7157710--7157712.cif.	7157711.cif
256618	2020-09-22	cif/ Adding structures of 7157710, 7157711, 7157712 via cif-deposit CGI script.	7157711.cif