Information card for entry 1545294

Structure parameters

• Formula: C25 H34 O7.833333
• Calculated formula: C25 H34 O7.83333
• SMILES: O[C@@H]1[C@]2([C@H](C([C@@H](O)C1)(C)C)C[C@H](O)[C@@]1(Oc3c(c4c(C(=O)O[C@@H](C4)C)c(O)c3)C[C@@H]21)C)C.O
• Title of publication: Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.
• Authors of publication: Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 1039 - 1047
• a: 19.6602 ± 0.0015 Å
• b: 14.7796 ± 0.0012 Å
• c: 26.125 ± 0.0019 Å
• α: 90°
• β: 91.529 ± 0.004°
• γ: 90°
• Cell volume: 7588.4 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1573
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.3084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No