Crystallography Open Database

Information card for entry 1562749

Preview

Coordinates	1562749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 O3
Calculated formula	C15 H24 O3
SMILES	O[C@]1([C@@H]2C[C@H](C(=C)C(=O)O)CC[C@]2(CCC1)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	12.1025 ± 0.0003 Å
b	16.7657 ± 0.0004 Å
c	7.1219 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1445.08 ± 0.06 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	1562749.cif
265388	2021-05-21	cif/ Adding structures of 1562749 via cif-deposit CGI script.	1562749.cif