Crystallography Open Database

Information card for entry 1558504

Preview

Coordinates	1558504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 O3
Calculated formula	C15 H22 O3
SMILES	[C@@]1(CCC[C@]2([C@H]1CCC1=C2COC1=O)C)(C)CO
Title of publication	Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.
Authors of publication	Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	7
Pages of publication	2200 - 2206
a	9.77217 ± 0.00005 Å
b	9.81597 ± 0.00005 Å
c	13.76057 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	1319.96 ± 0.012 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0267
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
254775 (current)	2020-08-04	cif/ Updating files of 1558504, 1558505, 1558506 Original log message: Adding full bibliography for 1558504--1558506.cif.	1558504.cif
254030	2020-07-07	cif/ Adding structures of 1558504 via cif-deposit CGI script.	1558504.cif