Information card for entry 1545661

Structure parameters

• Formula: C18 H26 O5
• Calculated formula: C18 H26 O5
• SMILES: O([C@H]1O[C@H]([C@@H](OC)C1)[C@]1(Oc2c(CC1)c(OC)cc(c2)C)C)C.O([C@@H]1O[C@@H]([C@H](OC)C1)[C@@]1(Oc2c(CC1)c(OC)cc(c2)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: 13.7608 ± 0.0004 Å
• b: 7.3158 ± 0.0002 Å
• c: 17.9639 ± 0.0005 Å
• α: 90°
• β: 104.13 ± 0.001°
• γ: 90°
• Cell volume: 1753.73 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No