Information card for entry 1554999

Structure parameters

• Formula: C40 H32 O6
• Calculated formula: C40 H32 O6
• SMILES: O1[C@@]2(c3ccccc3)[C@H]([C@@H]3C(Oc4ccc5c(=O)cc(oc5c4[C@H]23)c2ccccc2)(C)C)C(=O)c2ccc3OC(C=Cc3c12)(C)C.O1[C@]2(c3ccccc3)[C@@H]([C@H]3C(Oc4ccc5c(=O)cc(oc5c4[C@@H]23)c2ccccc2)(C)C)C(=O)c2ccc3OC(C=Cc3c12)(C)C
• Title of publication: Isolation, structure elucidation, and synthesis of (±)-millpuline A with a suppressive effect in miR-144 expression
• Authors of publication: Wang, Wenli; Tang, Yingzhan; Liu, Yongxiang; Yuan, Lei; Wang, Jian; Lin, Bin; Zhou, Di; Sun, Lu; Huang, Renbin; Chen, Gang; Li, Ning
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2850
• a: 10.438 ± 0.005 Å
• b: 10.7 ± 0.005 Å
• c: 15.172 ± 0.007 Å
• α: 80.197 ± 0.009°
• β: 70.129 ± 0.009°
• γ: 79.638 ± 0.009°
• Cell volume: 1556.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1055
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No