Crystallography Open Database

Information card for entry 1557893

Preview

Coordinates	1557893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 O7
Calculated formula	C19 H24 O7
SMILES	C[C@@H]1C/C=C/C(=O)CCCC(=O)Cc2cc(cc(c2C(=O)O1)O)O.CO
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	5.53373 ± 0.00007 Å
b	14.7351 ± 0.0002 Å
c	23.2466 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1895.53 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0402
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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

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