Information card for entry 1545663

Structure parameters

• Formula: C18 H24 O6
• Calculated formula: C18 H24 O6
• SMILES: O(c1cc(cc2O[C@@](CC(=O)c12)([C@H]1O[C@H](OC)C[C@H]1OC)C)C)C.O(c1cc(cc2O[C@](CC(=O)c12)([C@@H]1O[C@@H](OC)C[C@@H]1OC)C)C)C
• Title of publication: Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.
• Authors of publication: Xiao, Zheming; Li, Yayue; Gao, Shuanhu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1834 - 1837
• a: 7.7914 ± 0.0009 Å
• b: 8.255 ± 0.0009 Å
• c: 16.9969 ± 0.0019 Å
• α: 92.455 ± 0.003°
• β: 97.868 ± 0.004°
• γ: 111.507 ± 0.003°
• Cell volume: 1002.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No