Crystallography Open Database

Information card for entry 1557890

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Structure parameters

Formula	C20 H23 Cl O6
Calculated formula	C20 H23 Cl O6
Title of publication	Resorcylic Acid Lactones from an Ilyonectria sp.
Authors of publication	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li
Journal of publication	Journal of Natural Products
Year of publication	2020
a	36.0878 ± 0.0007 Å
b	10.8258 ± 0.0001 Å
c	26.8601 ± 0.0009 Å
α	90°
β	131.699 ± 0.003°
γ	90°
Cell volume	7835.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557890.cif
251105	2020-04-23	cif/ Adding structures of 1557890 via cif-deposit CGI script.	1557890.cif