Crystallography Open Database

Information card for entry 2000146

2000145 << 2000146 >> 2000147

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Coordinates	2000146.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H15 Cl O6
Calculated formula	C18 H15 Cl O6
SMILES	COc1cc(C)c2c(c1C)OC(=O)c1c(O2)c(C=O)c(c(c1C)Cl)O
Title of publication	Structure of pannarin: a natural depsidone
Authors of publication	Blaser, D.; Stoeckli-Evans, H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	12
Pages of publication	2624 - 2626
a	4.301 ± 0.001 Å
b	22.832 ± 0.003 Å
c	16.531 ± 0.002 Å
α	90°
β	95.09 ± 0.01°
γ	90°
Cell volume	1616.9 ± 0.5 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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