Information card for entry 1542906

Structure parameters

• Formula: C24 H34 O3
• Calculated formula: C24 H34 O3
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC[C@@H]([C@@]12OC2=C(C(=O)C=C([C@]2(C1)C)C)C)C)C
• Title of publication: Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.
• Authors of publication: Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 4
• Pages of publication: 806 - 811
• a: 8.4475 ± 0.0007 Å
• b: 10.3954 ± 0.0009 Å
• c: 24.175 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2122.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1024
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No