Information card for entry 7126238

Structure parameters

• Common name: sporormielone B
• Formula: C16 H16 O6
• Calculated formula: C16 H16 O6
• SMILES: O[C@@]12[C@](C(=CC2=O)C)(Cc2c(C1=O)c(O)c(O)c(O)c2C)C.O[C@]12[C@@](C(=CC2=O)C)(Cc2c(C1=O)c(O)c(O)c(O)c2C)C
• Title of publication: Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.
• Authors of publication: Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 33
• Pages of publication: 4607 - 4610
• a: 9.17259 ± 0.00016 Å
• b: 11.667 ± 0.00014 Å
• c: 12.81692 ± 0.00017 Å
• α: 90°
• β: 98.1439 ± 0.0014°
• γ: 90°
• Cell volume: 1357.79 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No