Information card for entry 4031836

Structure parameters

• Formula: C48 H51 O10
• Calculated formula: C48 H52 O10
• SMILES: c1c2[C@@H]3[C@H](C(=O)c4cc(c(cc4OC)OC)[C@@H]4[C@H](C(=O)c1c(cc2OC)OC)[C@H](CC(=C4)C)c1ccc(cc1OC)OC)[C@@H](c1c(cc(cc1)OC)OC)CC(=C3)C.c1c2[C@H]3[C@@H](C(=O)c4cc(c(cc4OC)OC)[C@H]4[C@@H](C(=O)c1c(cc2OC)OC)[C@@H](CC(=C4)C)c1ccc(cc1OC)OC)[C@H](c1c(cc(cc1)OC)OC)CC(=C3)C
• Title of publication: Chiral Boron Complex-Promoted Asymmetric Diels-Alder Cycloaddition and Its Application in Natural Product Synthesis.
• Authors of publication: Li, Xia; Han, Jianguang; Jones, Alexander X.; Lei, Xiaoguang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 458 - 468
• a: 31.426 ± 0.003 Å
• b: 13.9013 ± 0.0012 Å
• c: 21.3552 ± 0.0017 Å
• α: 90°
• β: 105.307 ± 0.002°
• γ: 90°
• Cell volume: 8998.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No