Information card for entry 1552620

Structure parameters

• Formula: C20 H32 O5
• Calculated formula: C20 H32 O5
• SMILES: [C@]123C[C@H]4[C@@H](C1=CC[C@H]1[C@](CO)([C@@H](CC[C@]21C)O)C)OC[C@]4(CC3)O.O
• Title of publication: Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.
• Authors of publication: Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 2307 - 2331
• a: 11.1676 ± 0.0003 Å
• b: 6.78712 ± 0.00014 Å
• c: 11.9803 ± 0.0003 Å
• α: 90°
• β: 100.342 ± 0.002°
• γ: 90°
• Cell volume: 893.3 ± 0.04 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0289
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0768
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No