Information card for entry 2101326

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 ų
• 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 Fobs: No