Crystallography Open Database

Information card for entry 7160847

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Coordinates	7160847.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 Podospora sp. G214
Authors of publication	Li, Wanpeng; Gao, Ying; Ruan, Hanli
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	9.4456 ± 0.0005 Å
b	6.665 ± 0.0003 Å
c	10.5231 ± 0.0005 Å
α	90°
β	99.933 ± 0.005°
γ	90°
Cell volume	652.55 ± 0.06 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2145
Weighted residual factors for all reflections included in the refinement	0.2149
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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