Information card for entry 1552615

Structure parameters

• Formula: C22 H38 O7
• Calculated formula: C22 H38 O7
• SMILES: O[C@H]1[C@@H]2[C@](O)(CC[C@@]31[C@@]1([C@H]([C@@]([C@H](O)CC1)(CO)C)CC[C@H]3C2)C)COC(=O)C.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: 10.2255 ± 0.0002 Å
• b: 11.9121 ± 0.0003 Å
• c: 17.5037 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2132.08 ± 0.08 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.032
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No