Information card for entry 1566286

Structure parameters

• Formula: C36 H42 O14
• Calculated formula: C36 H42 O14
• SMILES: O1[C@@](CC(=O)c2c(O)c(c(cc12)C)c1c(O)c2c(O[C@]3([C@@H](O)[C@@H](OC)CC(=C3C2=O)O)C)cc1C)(C)[C@H]1OC(=O)C[C@@H]1OC.O(C(=O)C)CC
• 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: 10.0366 ± 0.0001 Å
• b: 10.7583 ± 0.0001 Å
• c: 15.9163 ± 0.0002 Å
• α: 90°
• β: 95.435 ± 0.001°
• γ: 90°
• Cell volume: 1710.86 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0382
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No