Information card for entry 1545964

Structure parameters

• Formula: C32 H34 O10
• Calculated formula: C32 H34 O10
• SMILES: O([C@@H]1CC=C2[C@](Oc3c(C2=O)c(O)c(c(c3)C)c2c(cc3O[C@@]4([C@@H](O)[C@H](OC)CC=C4C(=O)c3c2O)C)C)([C@H]1O)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: 9.4676 ± 0.0005 Å
• b: 15.2732 ± 0.0007 Å
• c: 12.2821 ± 0.0006 Å
• α: 90°
• β: 96.493 ± 0.002°
• γ: 90°
• Cell volume: 1764.61 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No