Information card for entry 1544949

Structure parameters

• Formula: C12 H12.5 O4.25
• Calculated formula: C12 H12.5 O4.25
• SMILES: O=C(O)c1ccc2OC[C@@](O)(C=Cc2c1)C.O
• Title of publication: Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity.
• Authors of publication: Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao
• Journal of publication: Organic letters
• Year of publication: 2016
• a: 24.87 ± 0.0006 Å
• b: 6.6662 ± 0.0001 Å
• c: 13.8578 ± 0.0003 Å
• α: 90°
• β: 107.661 ± 0.002°
• γ: 90°
• Cell volume: 2189.18 ± 0.08 ų
• Cell temperature: 173 ± 0.3 K
• Ambient diffraction temperature: 173 ± 0.3 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: 0.0341
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No