Information card for entry 1503700

Structure parameters

• Common name: TF5
• Formula: C45 H33 Cl3 O12
• Calculated formula: C45 H33 Cl3 O12
• SMILES: C1(C2C(=C(CC1)c1cc3cc(c(cc3o1)O)C(=O)C)Oc1c2cc(c(c1)O)C(=O)C)(c1cc2cc(c(cc2o1)O)C(=O)C)c1cc2cc(c(cc2o1)O)C(=O)C.C(Cl)(Cl)Cl
• Title of publication: Laetirobin from the parasitic growth of Laetiporus sulphureus on Robinia pseudoacacia.
• Authors of publication: Lear, Martin J.; Simon, Oliver; Foley, Timothy L.; Burkart, Michael D.; Baiga, Thomas J.; Noel, Joseph P.; DiPasquale, Antonio G.; Rheingold, Arnold L.; La Clair, James J.
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1980 - 1987
• a: 10.8711 ± 0.001 Å
• b: 13.8138 ± 0.0012 Å
• c: 14.0844 ± 0.0013 Å
• α: 112.142 ± 0.006°
• β: 90.894 ± 0.006°
• γ: 94.006 ± 0.006°
• Cell volume: 1952.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No