Information card for entry 1566289

Structure parameters

• Formula: C34 H40 O12 S
• Calculated formula: C34 H40 O12 S
• SMILES: S(=O)(C)C.O1[C@]([C@H]2OC(=O)C[C@@H]2OC)(CC(=O)c2c1c(c(cc2O)C)c1c(O)c2c(O[C@]3([C@@H](O)[C@@H](OC)CC=C3C2=O)C)cc1C)C
• Title of publication: Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.
• Authors of publication: Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao
• Journal of publication: Journal of natural products
• Year of publication: 2022
• Journal volume: 85
• Journal issue: 1
• Pages of publication: 148 - 161
• a: 12.3621 ± 0.0001 Å
• b: 11.0513 ± 0.0001 Å
• c: 13.3183 ± 0.0001 Å
• α: 90°
• β: 110.977 ± 0.001°
• γ: 90°
• Cell volume: 1698.92 ± 0.03 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No