Crystallography Open Database

Information card for entry 1565109

Preview

Coordinates	1565109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 O3
Calculated formula	C15 H18 O3
SMILES	O1c2cc(C(=O)O)ccc2[C@@]2(C[C@@]1(C)CCC2)C.O1c2cc(C(=O)O)ccc2[C@]2(C[C@@]1(CCC2)C)C
Title of publication	Penispidins A-C, Aromatic Sesquiterpenoids from <i>Penicillium virgatum</i> and Their Inhibitory Effects on Hepatic Lipid Accumulation.
Authors of publication	Yin, Guo-Ping; Gong, Man; Xue, Gui-Min; Gong, Tian; Cao, Xue; Wang, Weiyi; Hu, Chang-Hua
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	10
Pages of publication	2623 - 2629
a	22.9072 ± 0.0004 Å
b	7.95806 ± 0.00017 Å
c	23.4273 ± 0.0004 Å
α	90°
β	106.561 ± 0.0019°
γ	90°
Cell volume	4093.56 ± 0.14 Å³
Cell temperature	291.27 ± 0.19 K
Ambient diffraction temperature	291.27 ± 0.19 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1383
Residual factor for significantly intense reflections	0.1217
Weighted residual factors for significantly intense reflections	0.4237
Weighted residual factors for all reflections included in the refinement	0.4419
Goodness-of-fit parameter for all reflections included in the refinement	1.796
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275434 (current)	2022-05-16	cif/1 Fixing some Z values and formulae	1565109.cif
270280	2021-11-04	cif/ Adding structures of 1565109 via cif-deposit CGI script.	1565109.cif