Information card for entry 1559805

Structure parameters

• Formula: C25 H38 O2
• Calculated formula: C25 H38 O2
• SMILES: O=C1C=C([C@@H]2[C@@H]1/C(=C\C[C@@H]1[C@@](C2)(CC[C@@H]1[C@H](CCC=C(C)C)C)C)CO)C
• Title of publication: Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.
• Authors of publication: Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 3652 - 3660
• a: 11.5452 ± 0.0014 Å
• b: 6.0471 ± 0.0007 Å
• c: 16.751 ± 0.002 Å
• α: 90°
• β: 105.919 ± 0.003°
• γ: 90°
• Cell volume: 1124.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No