Information card for entry 4105640

Structure parameters

• Formula: C15 H12 O7
• Calculated formula: C15 H12 O7
• SMILES: O=C1O[C@H]([C@]2(Oc3cccc(O)c3C(=O)C2)C(=O)OC)C=C1.O=C1O[C@@H]([C@@]2(Oc3cccc(O)c3C(=O)C2)C(=O)OC)C=C1
• Title of publication: Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products
• Authors of publication: Tian Qin; Richard P. Johnson; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1714 - 1717
• a: 7.8769 ± 0.0003 Å
• b: 8.1717 ± 0.0003 Å
• c: 11.1984 ± 0.0005 Å
• α: 70.325 ± 0.001°
• β: 84.844 ± 0.001°
• γ: 78.875 ± 0.001°
• Cell volume: 665.74 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No