Crystallography Open Database

Information card for entry 1562745

Preview

Coordinates	1562745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O5
Calculated formula	C18 H26 O5
SMILES	O=C(O)C(=C)[C@@H]1C[C@H](OC(=O)C)[C@]2(CC[C@@H](OC)C(=C2C1)C)C
Title of publication	Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.
Authors of publication	Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	5
Pages of publication	1626 - 1637
a	8.7335 ± 0.0003 Å
b	12.167 ± 0.0004 Å
c	16.1121 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1712.08 ± 0.1 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 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	0.0336
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
265757 (current)	2021-06-04	cif/ Updating files of 1562743, 1562744, 1562745, 1562746, 1562747, 1562748, 1562749, 1562750, 1562751 Original log message: Adding full bibliography for 1562743--1562751.cif.	1562745.cif
265384	2021-05-21	cif/ Adding structures of 1562745 via cif-deposit CGI script.	1562745.cif