Crystallography Open Database

Information card for entry 1557706

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Structure parameters

Formula	C20 H30 O6
Calculated formula	C20 H30 O6
Title of publication	Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.
Authors of publication	Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	4
Pages of publication	927 - 936
a	10.0116 ± 0.0008 Å
b	7.2838 ± 0.0006 Å
c	13.4741 ± 0.0011 Å
α	90°
β	91.07 ± 0.003°
γ	90°
Cell volume	982.39 ± 0.14 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 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	0.0327
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557706.cif
251470	2020-05-04	cif/ Updating files of 1557706, 1557707 Original log message: Adding full bibliography for 1557706--1557707.cif.	1557706.cif
249937	2020-04-02	cif/ Adding structures of 1557706 via cif-deposit CGI script.	1557706.cif