Crystallography Open Database

Information card for entry 1562539

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Structure parameters

Formula	C20 H26 O4
Calculated formula	C20 H26 O4
SMILES	C1CCC(C2=C(C(=O)c3c([C@@]12C)c(c(c(c3)C(C)C)O)O)O)(C)C
Title of publication	Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.
Authors of publication	Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	5
Pages of publication	1442 - 1452
a	9.622 Å
b	13.246 Å
c	13.922 Å
α	90°
β	90°
γ	90°
Cell volume	1774.4 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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	0.0455
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1562539.cif
265755	2021-06-04	cif/ Updating files of 1562538, 1562539, 1562540, 1562541, 1562542, 1562543 Original log message: Adding full bibliography for 1562538--1562543.cif.	1562539.cif
265155	2021-05-13	cif/ Adding structures of 1562539 via cif-deposit CGI script.	1562539.cif