Information card for entry 1518733

Structure parameters

• Formula: C20 H22 O7
• Calculated formula: C20 H22 O7
• SMILES: C(=O)(c1c(c(c(cc1O)C)OC)COC(=O)C)c1c(cccc1OC)OC
• Title of publication: Acredinones A and B, Voltage-Dependent Potassium Channel Inhibitors from the Sponge-Derived Fungus Acremonium sp. F9A015.
• Authors of publication: Kim, Hiyoung; Yang, Inho; Ryu, Shin-Young; Won, Dong Hwan; Giri, Awadut G.; Wang, Weihong; Choi, Hyukjae; Chin, Jungwook; Hahn, Dongyup; Kim, Eunhee; Han, Chulkyeong; Lee, Jihye; Nam, Sang-Jip; Ho, Won-Kyung; Kang, Heonjoong
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 3
• Pages of publication: 363 - 367
• a: 28.5983 ± 0.0012 Å
• b: 8.3343 ± 0.0004 Å
• c: 7.7428 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.47 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No