Information card for entry 1553610

Structure parameters

• Formula: C43 H46 O11
• Calculated formula: C43 H46 O11
• SMILES: O(c1cc(OC(C)C)cc2OC(=C(C(=O)c12)c1c(OC)cc(OC)c2c1OC(=CC2=O)c1ccc(OC(C)C)cc1)c1ccc(OC)cc1)C(C)C.OC
• Title of publication: Total synthesis of I3,II8-biapigenin and ridiculuflavone A
• Authors of publication: Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 578
• a: 15.1534 ± 0.001 Å
• b: 15.8118 ± 0.001 Å
• c: 17.7296 ± 0.001 Å
• α: 68.774 ± 0.004°
• β: 76.898 ± 0.005°
• γ: 79.352 ± 0.005°
• Cell volume: 3832 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No