Crystallography Open Database

Information card for entry 7157710

Preview

Coordinates	7157710.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Aleuritin
Formula	C19 H24 O6
Calculated formula	C19 H24 O6
SMILES	O1[C@]23CC[C@H](C(=C)C)[C@@](CCC(=O)OC)(C2=CC(=O)O[C@@H]3CC1=O)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	9.4888 ± 0.0005 Å
b	7.2783 ± 0.0003 Å
c	12.988 ± 0.0007 Å
α	90°
β	97.094 ± 0.005°
γ	90°
Cell volume	890.12 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7157710.cif
256618	2020-09-22	cif/ Adding structures of 7157710, 7157711, 7157712 via cif-deposit CGI script.	7157710.cif