Information card for entry 1566295

Structure parameters

• Formula: C24 H26 O9
• Calculated formula: C24 H26 O9
• SMILES: O[C@@]12[C@@H]3O[C@H](C)C(=O)[C@H]2[C@@]2([C@H]([C@@]4(OC4)C4=CC(=O)OC(C4=CC2=O)(C)C)C[C@@]1(C)C(=O)O3)C
• Title of publication: <i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.
• Authors of publication: Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2022
• Journal volume: 85
• Journal issue: 1
• Pages of publication: 248 - 255
• a: 11.2389 ± 0.0007 Å
• b: 12.4074 ± 0.0005 Å
• c: 15.325 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2137 ± 0.19 ų
• Cell temperature: 103.4 K
• Ambient diffraction temperature: 103.4 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: 0.0406
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No