Information card for entry 1542620

Structure parameters

• Formula: C27 H43 O5.5
• Calculated formula: C27 H42 O5.25
• SMILES: OC(=O)[C@]12[C@@]3(O)C[C@@H]4[C@]([C@@H](OC(=O)C)[C@@H]3[C@H](CC[C@@]32[C@H]1CC[C@@H]3C)C)(C)CC[C@@H]4C(C)C.O
• Title of publication: Aspterpenacids A and B, Two Sesterterpenoids from a Mangrove Endophytic Fungus Aspergillus terreus H010.
• Authors of publication: Liu, Zhaoming; Chen, Yan; Chen, Senhua; Liu, Yayue; Lu, Yongjun; Chen, Dongni; Lin, Yongcheng; Huang, Xishan; She, Zhigang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1406 - 1409
• a: 11.4484 ± 0.0005 Å
• b: 18.1806 ± 0.001 Å
• c: 25.8417 ± 0.0012 Å
• α: 90°
• β: 98.082 ± 0.004°
• γ: 90°
• Cell volume: 5325.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1294
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2739
• Weighted residual factors for all reflections included in the refinement: 0.3189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No