Crystallography Open Database

Information card for entry 7160848

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Coordinates	7160848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl2 O5
Calculated formula	C13 H12 Cl2 O5
Title of publication	Resorcylic acid lactone derivatives with immunosuppressive activity from the endophytic <i>Podospora</i> sp. G214.
Authors of publication	Li, Wanpeng; Gao, Ying; Ruan, Hanli
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	47
Pages of publication	10771 - 10778
a	4.36335 ± 0.00003 Å
b	25.31599 ± 0.00012 Å
c	11.98481 ± 0.00007 Å
α	90°
β	92.0783 ± 0.0005°
γ	90°
Cell volume	1323 ± 0.013 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0192
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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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