Crystallography Open Database

Information card for entry 2101326

Preview

Coordinates	2101326.cif
Original IUCr paper	HTML

Structure parameters

Formula	C31 H23 Cl O14
Calculated formula	C31 H13 Cl O14
SMILES	O1[C@@]2([C@H](O)CCC(C2=C(O)c2c(c3c(c(c12)Cl)C[C@@]12C(=O)c4c(O)ccc(O)c4C(C1=C(O)[C@@H]3[C@]1([C@@H]2O1)CO)=O)O)=O)C(=O)OC
Title of publication	The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4
Authors of publication	Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.
Journal of publication	Acta Crystallographica Section B
Year of publication	1995
Journal volume	51
Journal issue	3
Pages of publication	308 - 314
a	20.585 ± 0.005 Å
b	18.721 ± 0.004 Å
c	8.206 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3162.4 ± 1.5 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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