Information card for entry 1552610

Structure parameters

• Common name: asperophiobolin I
• Formula: C25 H34 O3
• Calculated formula: C25 H34 O3
• SMILES: O=C1C=C(C)[C@@H]2[C@@H]1/C(=C\C[C@H]1[C@@H]([C@H](/C=C\[C@@H]3OC3(C)C)C)CC[C@@]1(C2)C)C=O
• Title of publication: Ophiobolin-Type Sesterterpenoids from the Mangrove Endophytic Fungus <i>Aspergillus</i> sp. ZJ-68.
• Authors of publication: Cai, Runlin; Jiang, Hongming; Mo, Yaling; Guo, Huixian; Li, Chunyuan; Long, Yuhua; Zang, Zhenming; She, Zhigang
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 2268 - 2278
• a: 7.5459 ± 0.0005 Å
• b: 21.2382 ± 0.001 Å
• c: 13.5497 ± 0.0005 Å
• α: 90°
• β: 90.079 ± 0.003°
• γ: 90°
• Cell volume: 2171.49 ± 0.19 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 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: 0.1693
• Residual factor for significantly intense reflections: 0.1624
• Weighted residual factors for significantly intense reflections: 0.4338
• Weighted residual factors for all reflections included in the refinement: 0.4407
• Goodness-of-fit parameter for all reflections included in the refinement: 2.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No