Crystallography Open Database

Information card for entry 1562543

Preview

Coordinates	1562543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 O4
Calculated formula	C19 H26 O4
SMILES	O=C1C2=C([C@H](O)[C@H]3C(CCC[C@]23C)(C)C)C(=O)C(=C1O)C(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	7.447 ± 0.002 Å
b	9.642 ± 0.002 Å
c	23.098 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1658.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0334
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
265755 (current)	2021-06-04	cif/ Updating files of 1562538, 1562539, 1562540, 1562541, 1562542, 1562543 Original log message: Adding full bibliography for 1562538--1562543.cif.	1562543.cif
265159	2021-05-13	cif/ Adding structures of 1562543 via cif-deposit CGI script.	1562543.cif