Information card for entry 1566285

Structure parameters

• Formula: C36 H42 O14
• Calculated formula: C36 H42 O14
• SMILES: Oc1c(c2c(cc(O)c3c2O[C@](CC3=O)(C)[C@H]2OC(=O)C[C@@H]2OC)C)c(cc2O[C@@]3(C(=C(O)C[C@H](OC)[C@@H]3O)C(=O)c12)C)C.O=C(OCC)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: 7.4273 ± 0.0002 Å
• b: 17.5037 ± 0.0003 Å
• c: 25.5651 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3323.6 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0544
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No