Information card for entry 1543721

Structure parameters

• Formula: C19 H20 O9
• Calculated formula: C19 H20 O9
• SMILES: O=c1oc2c(c3c1c(O)cc(OC)c3)[C@](O)(C)C[C@@H](OC)[C@@]12OC(=O)[C@H](O)C1
• Title of publication: Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22
• Authors of publication: Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang
• Journal of publication: Journal of Natural Products
• Year of publication: 2016
• a: 10.936 ± 0.0004 Å
• b: 10.936 ± 0.0004 Å
• c: 25.7965 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2671.83 ± 0.15 ų
• Cell temperature: 103.1 K
• Ambient diffraction temperature: 103.1 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No