Information card for entry 1552712

Structure parameters

• Formula: C20 H20 O5
• Calculated formula: C20 H20 O5
• SMILES: O1c2cc(c(c(O)c2[C@H](c2c1cc(cc2O)C)C=C(C)C)C(=O)O)C
• Title of publication: Prenylated Diresorcinols Inhibit Bacterial Quorum Sensing.
• Authors of publication: Paguigan, Noemi D.; Rivera-Chávez, José; Stempin, Justin J.; Augustinović, Mario; Noras, Aleksandra I.; Raja, Huzefa A.; Todd, Daniel A.; Triplett, Kathleen D.; Day, Cynthia; Figueroa, Mario; Hall, Pamela R.; Cech, Nadja B.; Oberlies, Nicholas H.
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 550 - 558
• a: 7.3973 ± 0.0005 Å
• b: 11.0738 ± 0.0008 Å
• c: 12.082 ± 0.0009 Å
• α: 69.81 ± 0.001°
• β: 77.629 ± 0.001°
• γ: 77.212 ± 0.001°
• Cell volume: 895.52 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No