Information card for entry 1512078

Structure parameters

• Formula: C25 H43.5 O1.75
• Calculated formula: C25 H42 O
• SMILES: [C@H]1([C@H]2[C@H](CCC2=C(CC[C@@H]2[C@@]1(CC[C@]1([C@H]2CC(CC1)(C)C)C)C)C)C)O
• Title of publication: Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242
• Authors of publication: Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2522
• a: 29.5357 ± 0.0003 Å
• b: 15.7962 ± 0.0002 Å
• c: 20.0056 ± 0.0002 Å
• α: 90°
• β: 96.313 ± 0.001°
• γ: 90°
• Cell volume: 9277.05 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0524
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No