Information card for entry 1543150

Structure parameters

• Formula: C24 H28 O10.79
• Calculated formula: C24 H28 O10.79
• SMILES: O=C1O[C@H]2O[C@@H](C(=O)[C@H]3[C@@]4(C(=C(C5=C(CC4=O)C(OC(=O)C5)(C)C)CO)C[C@@]1([C@@H]23)C)C)C.O.O.O
• Title of publication: Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.
• Authors of publication: Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 1415 - 1422
• a: 12.6572 ± 0.0004 Å
• b: 6.67349 ± 0.00019 Å
• c: 15.317 ± 0.0005 Å
• α: 90°
• β: 97.611 ± 0.003°
• γ: 90°
• Cell volume: 1282.39 ± 0.07 ų
• Cell temperature: 103.3 K
• Ambient diffraction temperature: 103.3 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: 0.0635
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No