Information card for entry 4105641

Structure parameters

• Formula: C16 H16 O7
• Calculated formula: C16 H16 O7
• SMILES: O1c2cccc(O)c2C(=O)C[C@@]1([C@@H]1OC(=O)C[C@@H]1C)C(=O)OC.O1c2cccc(O)c2C(=O)C[C@]1([C@H]1OC(=O)C[C@H]1C)C(=O)OC
• 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: 13.2285 ± 0.0009 Å
• b: 7.9453 ± 0.0005 Å
• c: 14.2764 ± 0.0009 Å
• α: 90°
• β: 104.118 ± 0.003°
• γ: 90°
• Cell volume: 1455.19 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No