Crystallography Open Database

Information card for entry 1560289

Preview

Coordinates	1560289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 O6
Calculated formula	C18 H22 O6
SMILES	C1(=O)c2c(CC(=O)CCC[C@@H](/C=C/C[C@H](C)O)O1)cc(cc2O)O
Title of publication	Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.
Authors of publication	Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	2
Pages of publication	483 - 494
a	5.41732 ± 0.00003 Å
b	15.13174 ± 0.00009 Å
c	20.13674 ± 0.00012 Å
α	90°
β	90°
γ	90°
Cell volume	1650.68 ± 0.017 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 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	0.0294
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
262446 (current)	2021-03-04	cif/ Updating files of 1560283, 1560284, 1560285, 1560286, 1560287, 1560288, 1560289, 1560290, 1560291 Original log message: Adding full bibliography for 1560283--1560291.cif.	1560289.cif
261815	2021-02-06	cif/ Adding structures of 1560289 via cif-deposit CGI script.	1560289.cif