Crystallography Open Database

Information card for entry 1544814

Preview

Coordinates	1544814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 O5
Calculated formula	C15 H18 O5
SMILES	O=C1c2c(O)cc(c(O)c2[C@H](O)[C@H]2C[C@@H](O)CC[C@H]12)C
Title of publication	Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.
Authors of publication	Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	1
Pages of publication	162 - 168
a	10.2447 ± 0.0006 Å
b	8.1822 ± 0.0004 Å
c	16.059 ± 0.0008 Å
α	90°
β	100.634 ± 0.002°
γ	90°
Cell volume	1323.01 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
191355 (current)	2017-02-04	cif/ Updating files of 1544814 Original log message: Adding full bibliography for 1544814.cif.	1544814.cif
189275	2016-12-21	cif/ Adding structures of 1544814 via cif-deposit CGI script.	1544814.cif