Information card for entry 1545295

Structure parameters

• Formula: C25 H36 O7
• Calculated formula: C25 H36 O7
• SMILES: O.O[C@@H]1CC[C@@]2([C@@H](C1(C)C)C[C@@H](O)[C@]1(Oc3c(c4c(c(O)c3)C(=O)O[C@H](C4)C)C[C@H]21)C)C
• 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: 11.144 ± 0.008 Å
• b: 16.201 ± 0.012 Å
• c: 12.443 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2247 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.2116
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No