Information card for entry 1531795

Structure parameters

• Formula: C22 H26 O9
• Calculated formula: C22 H26 O9
• SMILES: O[C@H]1[C@]2(Oc3c(c(=O)oc(c3C)C)C(=O)[C@@H]2[C@H]([C@]2(O)CC(=O)C(C)(C(=O)[C@@]12O)C)C)C
• Title of publication: Aspertetranones A-D, Putative Meroterpenoids from the Marine Algal-Associated Fungus Aspergillus sp. ZL0-1b14.
• Authors of publication: Wang, Yuezhou; Qi, Shuang; Zhan, Ying; Zhang, Nanwen; Wu, An-An; Gui, Fu; Guo, Kai; Yang, Yanru; Cao, Shugeng; Hu, Zhiyu; Zheng, Zhonghui; Song, Siyang; Xu, Qingyan; Shen, Yuemao; Deng, Xianming
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 10
• Pages of publication: 2405 - 2410
• a: 6.58475 ± 0.00012 Å
• b: 12.3394 ± 0.0002 Å
• c: 13.1873 ± 0.0003 Å
• α: 90°
• β: 101.317 ± 0.0018°
• γ: 90°
• Cell volume: 1050.66 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0252
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No