Information card for entry 4134713

Structure parameters

• Formula: C82 H106 Cl O14 P2 Pd2
• Calculated formula: C82 H106 Cl O14 P2 Pd2
• SMILES: [Pd]1([Cl][Pd]2(OC(C)([C@@H]3Oc4cccc(c4[P@]23C(C)(C)C)c2c(OC)c(cc(C3CCCC3)c2OC)C2CCCC2)C)c2c(ccc(OC)c2OC)C=O)([P@@]2([C@@H](Oc3c2c(ccc3)c2c(OC)c(cc(c2OC)C2CCCC2)C2CCCC2)C(C)(C)O1)C(C)(C)C)c1c(OC)c(OC)ccc1C=O
• Title of publication: Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.
• Authors of publication: Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 17
• Pages of publication: 8036 - 8043
• a: 29.794 ± 0.002 Å
• b: 19.1363 ± 0.0013 Å
• c: 16.7518 ± 0.0011 Å
• α: 90°
• β: 113.055 ± 0.002°
• γ: 90°
• Cell volume: 8788.1 ± 1 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No