Crystallography Open Database

Information card for entry 1560288

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Structure parameters

Formula	C18 H24 O6
Calculated formula	C18 H24 O6
SMILES	C1(=O)c2c(CC(=O)CCC[C@@H](CCC[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	5.46419 ± 0.00002 Å
b	15.26209 ± 0.00006 Å
c	20.85735 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1739.4 ± 0.013 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0252
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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