Information card for entry 1566287

Structure parameters

• Formula: C32 H34 O12
• Calculated formula: C32 H34 O12
• SMILES: O1c2c(C(=O)C[C@]1([C@H]1OC(=O)C[C@@H]1OC)C)c(O)c(c1c(O)c3c(O[C@]4([C@@H](O)[C@@H](OC)CC(=C4C3=O)O)C)cc1C)c(c2)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: 7.8346 ± 0.0001 Å
• b: 15.3938 ± 0.0002 Å
• c: 24.8916 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.03 ± 0.07 ų
• Cell temperature: 100 ± 0.12 K
• Ambient diffraction temperature: 100 ± 0.12 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No