Information card for entry 7155990

Structure parameters

• Formula: C32 H26 O11
• Calculated formula: C32 H26 O11
• SMILES: O1c2c(C(=O)c3c1cc(cc3O)C)c([C@H]1OC(=O)c3c(O)cc(cc3Oc3c(cc(cc3O)OC)[C@@H]1O)C)cc(c2)OC.O1c2c(C(=O)c3c1cc(cc3O)C)c([C@@H]1OC(=O)c3c(O)cc(cc3Oc3c(cc(cc3O)OC)[C@H]1O)C)cc(c2)OC
• Title of publication: (+)- and (‒)-Ascomlactone A, a pair of Novel Dimeric Polyketides from a Mangrove Endophytic Fungus Ascomycota sp. SK2YWS-L
• Authors of publication: Liu, Zhaoming; Chen, Senhua; Pei, Qiu; Chunbing, Tan; long, yuhua; Lu, Yongjun; She, Zhi-Gang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2017
• a: 8.8974 ± 0.0002 Å
• b: 11.2339 ± 0.0002 Å
• c: 15.5141 ± 0.0003 Å
• α: 102.767 ± 0.002°
• β: 96.993 ± 0.002°
• γ: 90.293 ± 0.001°
• Cell volume: 1500.26 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No