Information card for entry 1552616

Structure parameters

• Formula: C25 H40 O6
• Calculated formula: C25 H40 O6
• SMILES: O1C(O[C@H]2[C@]([C@H]3[C@]([C@H](O)C2)([C@@]24CC[C@](O)(COC(=O)C)[C@@H](C2)C[C@@H]4CC3)C)(C1)C)(C)C
• 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: 20.1097 ± 0.0004 Å
• b: 7.25531 ± 0.00013 Å
• c: 15.5015 ± 0.0003 Å
• α: 90°
• β: 95.009 ± 0.0019°
• γ: 90°
• Cell volume: 2253.06 ± 0.07 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0466
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No